3-chloro-N-[[3-(methylsulfonimidoyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine

C14H14ClN5OS — CID 167851556

IUPAC3-chloro-N-[[3-(methylsulfonimidoyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILES[H]N=S(C)(=O)c1cccc(CNc2ccnc3c(Cl)cnn23)c1
InChIInChI=1S/C14H14ClN5OS/c1-22(16,21)11-4-2-3-10(7-11)8-18-13-5-6-17-14-12(15)9-19-20(13)14/h2-7,9,16,18H,8H2,1H3
InChIKeyDYJPXJIDDKDHKJ-UHFFFAOYSA-N
MW335.82 g/mol
LogP3.03
Rot. Bonds4

About 3-chloro-N-[[3-(methylsulfonimidoyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine

3-chloro-N-[[3-(methylsulfonimidoyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 167851556) has the molecular formula C14H14ClN5OS and a molecular weight of 335.82 g/mol. Its IUPAC name is 3-chloro-N-[[3-(methylsulfonimidoyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-chloro-N-[[3-(methylsulfonimidoyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID167851556
Molecular FormulaC14H14ClN5OS
Molecular Weight335.82 g/mol
Exact Mass335.06
IUPAC Name3-chloro-N-[[3-(methylsulfonimidoyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILES[H]N=S(C)(=O)c1cccc(CNc2ccnc3c(Cl)cnn23)c1
InChIInChI=1S/C14H14ClN5OS/c1-22(16,21)11-4-2-3-10(7-11)8-18-13-5-6-17-14-12(15)9-19-20(13)14/h2-7,9,16,18H,8H2,1H3
InChIKeyDYJPXJIDDKDHKJ-UHFFFAOYSA-N
XLogP3.03
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.82
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-chlorophenyl)methyl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 68752804
N-[(3-chlorophenyl)methyl]-3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 46852268
3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 126474913
N-[[3-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]methyl]benzenesulfonamide
CID 21067720
5-chloro-2-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-N-[(3-methylsulfonylphenyl)methyl]pyrimidine-2,4-diamine
CID 90023133
7-(2-chloro-5-methylanilino)-N-ethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide
CID 141305216
CID 89055508
CID 89055508
N-[[3-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]methyl]-2-methylbenzenesulfonamide
CID 21067658
3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 126473838
N-[4-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]-4-methylbenzenesulfonamide
CID 21068214
5-[[(3-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyrazole-3-carboxylic acid
CID 166272427
N-[[3-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]methyl]propane-1-sulfonamide
CID 21067735

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[3-(methylsulfonimidoyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-chloro-N-[[3-(methylsulfonimidoyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 167851556) is 3-chloro-N-[[3-(methylsulfonimidoyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-chloro-N-[[3-(methylsulfonimidoyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-chloro-N-[[3-(methylsulfonimidoyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine is [H]N=S(C)(=O)c1cccc(CNc2ccnc3c(Cl)cnn23)c1.
What is the InChIKey of 3-chloro-N-[[3-(methylsulfonimidoyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is DYJPXJIDDKDHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5OS/c1-22(16,21)11-4-2-3-10(7-11)8-18-13-5-6-17-14-12(15)9-19-20(13)14/h2-7,9,16,18H,8H2,1H3.
What are the key properties of 3-chloro-N-[[3-(methylsulfonimidoyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
3-chloro-N-[[3-(methylsulfonimidoyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 335.82 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[3-(methylsulfonimidoyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 167851556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).