N-[5-chloro-3-[4-(2-ethylpyrimidin-4-yl)-1-propan-2-ylpyrazol-3-yl]-2-fluorophenyl]methanesulfonamide

C19H21ClFN5O2S — CID 58553830

IUPACN-[5-chloro-3-[4-(2-ethylpyrimidin-4-yl)-1-propan-2-ylpyrazol-3-yl]-2-fluorophenyl]methanesulfonamide
SMILESCCc1nccc(-c2cn(C(C)C)nc2-c2cc(Cl)cc(NS(C)(=O)=O)c2F)n1
InChIInChI=1S/C19H21ClFN5O2S/c1-5-17-22-7-6-15(23-17)14-10-26(11(2)3)24-19(14)13-8-12(20)9-16(18(13)21)25-29(4,27)28/h6-11,25H,5H2,1-4H3
InChIKeyJANAPQUSMQFECX-UHFFFAOYSA-N
MW437.93 g/mol
LogP4.31
Rot. Bonds6

About N-[5-chloro-3-[4-(2-ethylpyrimidin-4-yl)-1-propan-2-ylpyrazol-3-yl]-2-fluorophenyl]methanesulfonamide

N-[5-chloro-3-[4-(2-ethylpyrimidin-4-yl)-1-propan-2-ylpyrazol-3-yl]-2-fluorophenyl]methanesulfonamide (PubChem CID 58553830) has the molecular formula C19H21ClFN5O2S and a molecular weight of 437.93 g/mol. Its IUPAC name is N-[5-chloro-3-[4-(2-ethylpyrimidin-4-yl)-1-propan-2-ylpyrazol-3-yl]-2-fluorophenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-chloro-3-[4-(2-ethylpyrimidin-4-yl)-1-propan-2-ylpyrazol-3-yl]-2-fluorophenyl]methanesulfonamide
PubChem CID58553830
Molecular FormulaC19H21ClFN5O2S
Molecular Weight437.93 g/mol
Exact Mass437.11
IUPAC NameN-[5-chloro-3-[4-(2-ethylpyrimidin-4-yl)-1-propan-2-ylpyrazol-3-yl]-2-fluorophenyl]methanesulfonamide
SMILESCCc1nccc(-c2cn(C(C)C)nc2-c2cc(Cl)cc(NS(C)(=O)=O)c2F)n1
InChIInChI=1S/C19H21ClFN5O2S/c1-5-17-22-7-6-15(23-17)14-10-26(11(2)3)24-19(14)13-8-12(20)9-16(18(13)21)25-29(4,27)28/h6-11,25H,5H2,1-4H3
InChIKeyJANAPQUSMQFECX-UHFFFAOYSA-N
XLogP4.31
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-chloro-2-fluoro-3-[1-propan-2-yl-4-[2-(propylamino)pyrimidin-4-yl]pyrazol-3-yl]phenyl]methanesulfonamide
CID 167214642
methyl N-[(2S)-1-[[4-[3-[5-chloro-2-fluoro-3-(methanesulfonamido)phenyl]-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-yl]carbamate
CID 50922675
methyl N-[(2S)-4-[4-[3-[5-chloro-2-fluoro-3-(methanesulfonamido)phenyl]-1-(2-deuteriopropan-2-yl)pyrazol-4-yl]pyrimidin-2-yl]butan-2-yl]carbamate
CID 159408240
trideuteriomethyl N-[(2S)-1-[[4-[3-[5-chloro-2-fluoro-3-(methanesulfonamido)phenyl]-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-yl]carbamate
CID 172697308
methane;methyl N-[4-[4-[3-[5-chloro-2-fluoro-3-(methanesulfonamido)phenyl]-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]-3,3-dideuteriobutan-2-yl]carbamate;methyl N-[4-[4-[3-[5-chloro-2-fluoro-3-(methanesulfonamido)phenyl]-1-(1,1,1,2-tetradeuteriopropan-2-yl)pyrazol-4-yl]pyrimidin-2-yl]-3,3-dideuteriobutan-2-yl]carbamate;trideuteriomethyl N-[4-[4-[3-[5-chloro-2-fluoro-3-(methanesulfonamido)phenyl]-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]-3,3-dideuteriobutan-2-yl]carbamate
CID 157214866
methyl N-[1-[[4-[3-[5-chloro-2-fluoro-3-(propylsulfonylamino)phenyl]-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-yl]carbamate
CID 75601866
methyl N-[2-[[4-[3-[2,5-difluoro-3-(methanesulfonamido)phenyl]-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-yl]carbamate
CID 123625733
methyl N-[1-[[4-[3-[2,5-difluoro-3-(methanesulfonamido)phenyl]-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-yl]carbamate
CID 75601867
methyl N-[2-[[4-[3-[5-chloro-2-fluoro-3-(methanesulfonamido)phenyl]-1-ethylpyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-yl]carbamate
CID 123190822
methyl N-[1-[[4-[3-[3-[bis(methylsulfonyl)amino]-5-chloro-2-fluorophenyl]-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-yl]carbamate
CID 146156830
[(2S)-1-[[4-[3-[5-chloro-2-fluoro-3-(methanesulfonamido)phenyl]-1-(oxan-2-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-yl]carbamic acid
CID 70311882
methyl (3R)-4-[[4-[3-[5-chloro-2-fluoro-3-(methanesulfonamido)phenyl]-1-(oxan-2-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]-3-methylbutanoate
CID 58553837

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-3-[4-(2-ethylpyrimidin-4-yl)-1-propan-2-ylpyrazol-3-yl]-2-fluorophenyl]methanesulfonamide?
The IUPAC name of N-[5-chloro-3-[4-(2-ethylpyrimidin-4-yl)-1-propan-2-ylpyrazol-3-yl]-2-fluorophenyl]methanesulfonamide (CID 58553830) is N-[5-chloro-3-[4-(2-ethylpyrimidin-4-yl)-1-propan-2-ylpyrazol-3-yl]-2-fluorophenyl]methanesulfonamide.
What is the SMILES notation for N-[5-chloro-3-[4-(2-ethylpyrimidin-4-yl)-1-propan-2-ylpyrazol-3-yl]-2-fluorophenyl]methanesulfonamide?
The canonical SMILES for N-[5-chloro-3-[4-(2-ethylpyrimidin-4-yl)-1-propan-2-ylpyrazol-3-yl]-2-fluorophenyl]methanesulfonamide is CCc1nccc(-c2cn(C(C)C)nc2-c2cc(Cl)cc(NS(C)(=O)=O)c2F)n1.
What is the InChIKey of N-[5-chloro-3-[4-(2-ethylpyrimidin-4-yl)-1-propan-2-ylpyrazol-3-yl]-2-fluorophenyl]methanesulfonamide?
The InChIKey is JANAPQUSMQFECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN5O2S/c1-5-17-22-7-6-15(23-17)14-10-26(11(2)3)24-19(14)13-8-12(20)9-16(18(13)21)25-29(4,27)28/h6-11,25H,5H2,1-4H3.
What are the key properties of N-[5-chloro-3-[4-(2-ethylpyrimidin-4-yl)-1-propan-2-ylpyrazol-3-yl]-2-fluorophenyl]methanesulfonamide?
N-[5-chloro-3-[4-(2-ethylpyrimidin-4-yl)-1-propan-2-ylpyrazol-3-yl]-2-fluorophenyl]methanesulfonamide has a molecular weight of 437.93 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-3-[4-(2-ethylpyrimidin-4-yl)-1-propan-2-ylpyrazol-3-yl]-2-fluorophenyl]methanesulfonamide is sourced from PubChem (CID 58553830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).