(2S)-N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-(4-phenylpyrazol-1-yl)propanamide

C21H27N5O — CID 124938375

IUPAC(2S)-N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-(4-phenylpyrazol-1-yl)propanamide
SMILESCc1nn(CC(C)C)c(C)c1NC(=O)[C@H](C)n1cc(-c2ccccc2)cn1
InChIInChI=1S/C21H27N5O/c1-14(2)12-26-16(4)20(15(3)24-26)23-21(27)17(5)25-13-19(11-22-25)18-9-7-6-8-10-18/h6-11,13-14,17H,12H2,1-5H3,(H,23,27)/t17-/m0/s1
InChIKeyOICSQGOFNIUYCX-KRWDZBQOSA-N
MW365.48 g/mol
LogP4.22
Rot. Bonds6

About (2S)-N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-(4-phenylpyrazol-1-yl)propanamide

(2S)-N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-(4-phenylpyrazol-1-yl)propanamide (PubChem CID 124938375) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is (2S)-N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-(4-phenylpyrazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-(4-phenylpyrazol-1-yl)propanamide
PubChem CID124938375
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name(2S)-N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-(4-phenylpyrazol-1-yl)propanamide
SMILESCc1nn(CC(C)C)c(C)c1NC(=O)[C@H](C)n1cc(-c2ccccc2)cn1
InChIInChI=1S/C21H27N5O/c1-14(2)12-26-16(4)20(15(3)24-26)23-21(27)17(5)25-13-19(11-22-25)18-9-7-6-8-10-18/h6-11,13-14,17H,12H2,1-5H3,(H,23,27)/t17-/m0/s1
InChIKeyOICSQGOFNIUYCX-KRWDZBQOSA-N
XLogP4.22
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-(4-phenylpyrazol-1-yl)propanamide
CID 124938376
(2S)-2-(4-phenylpyrazol-1-yl)-N-propylpropanamide
CID 100830723
(2R)-N-(4-methylphenyl)-2-(4-phenylpyrazol-1-yl)propanamide
CID 124938415
(2S)-N-[(1-methylpyrazol-3-yl)methyl]-2-(4-phenylpyrazol-1-yl)propanamide
CID 100830781
2-(4-chloropyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 19538527
1-[1-[[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19505087
N-(furan-2-ylmethyl)-2-(4-phenylpyrazol-1-yl)propanamide
CID 110210706
1-[1-[[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19504909
N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N'-(1-phenylethyl)oxamide
CID 53370533
2-(4-bromopyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 19405897
2-(4-bromopyrazol-1-yl)-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19402139
2-(4-bromopyrazol-1-yl)-N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 19411981

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-(4-phenylpyrazol-1-yl)propanamide?
The IUPAC name of (2S)-N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-(4-phenylpyrazol-1-yl)propanamide (CID 124938375) is (2S)-N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-(4-phenylpyrazol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-(4-phenylpyrazol-1-yl)propanamide?
The canonical SMILES for (2S)-N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-(4-phenylpyrazol-1-yl)propanamide is Cc1nn(CC(C)C)c(C)c1NC(=O)[C@H](C)n1cc(-c2ccccc2)cn1.
What is the InChIKey of (2S)-N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-(4-phenylpyrazol-1-yl)propanamide?
The InChIKey is OICSQGOFNIUYCX-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H27N5O/c1-14(2)12-26-16(4)20(15(3)24-26)23-21(27)17(5)25-13-19(11-22-25)18-9-7-6-8-10-18/h6-11,13-14,17H,12H2,1-5H3,(H,23,27)/t17-/m0/s1.
What are the key properties of (2S)-N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-(4-phenylpyrazol-1-yl)propanamide?
(2S)-N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-(4-phenylpyrazol-1-yl)propanamide has a molecular weight of 365.48 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-(4-phenylpyrazol-1-yl)propanamide is sourced from PubChem (CID 124938375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).