(2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3R)-3-methyl-4-oxopiperidin-1-yl]propanamide

C20H26N4O2 — CID 100626167

IUPAC(2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3R)-3-methyl-4-oxopiperidin-1-yl]propanamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)N1CCC(=O)[C@H](C)C1
InChIInChI=1S/C20H26N4O2/c1-13-12-23(11-10-18(13)25)16(4)20(26)21-19-14(2)22-24(15(19)3)17-8-6-5-7-9-17/h5-9,13,16H,10-12H2,1-4H3,(H,21,26)/t13-,16+/m1/s1
InChIKeyQNWODMMDPVHEAQ-CJNGLKHVSA-N
MW354.45 g/mol
LogP2.73
Rot. Bonds4

About (2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3R)-3-methyl-4-oxopiperidin-1-yl]propanamide

(2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3R)-3-methyl-4-oxopiperidin-1-yl]propanamide (PubChem CID 100626167) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is (2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3R)-3-methyl-4-oxopiperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3R)-3-methyl-4-oxopiperidin-1-yl]propanamide
PubChem CID100626167
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name(2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3R)-3-methyl-4-oxopiperidin-1-yl]propanamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)N1CCC(=O)[C@H](C)C1
InChIInChI=1S/C20H26N4O2/c1-13-12-23(11-10-18(13)25)16(4)20(26)21-19-14(2)22-24(15(19)3)17-8-6-5-7-9-17/h5-9,13,16H,10-12H2,1-4H3,(H,21,26)/t13-,16+/m1/s1
InChIKeyQNWODMMDPVHEAQ-CJNGLKHVSA-N
XLogP2.73
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]propanamide
CID 100841669
(2R)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]propanamide
CID 100841668
2-chloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 47002122
2-(4-phenylpiperazin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 17395059
2-butylsulfanyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 134037906
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 134033637
(2R)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 94615289
2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 16575388
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)oxane-4-carboxamide
CID 51279535
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-fluorobenzamide
CID 51275491
(2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 16575327
1-tert-butyl-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)urea
CID 78834613

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3R)-3-methyl-4-oxopiperidin-1-yl]propanamide?
The IUPAC name of (2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3R)-3-methyl-4-oxopiperidin-1-yl]propanamide (CID 100626167) is (2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3R)-3-methyl-4-oxopiperidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3R)-3-methyl-4-oxopiperidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3R)-3-methyl-4-oxopiperidin-1-yl]propanamide is Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)N1CCC(=O)[C@H](C)C1.
What is the InChIKey of (2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3R)-3-methyl-4-oxopiperidin-1-yl]propanamide?
The InChIKey is QNWODMMDPVHEAQ-CJNGLKHVSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-13-12-23(11-10-18(13)25)16(4)20(26)21-19-14(2)22-24(15(19)3)17-8-6-5-7-9-17/h5-9,13,16H,10-12H2,1-4H3,(H,21,26)/t13-,16+/m1/s1.
What are the key properties of (2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3R)-3-methyl-4-oxopiperidin-1-yl]propanamide?
(2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3R)-3-methyl-4-oxopiperidin-1-yl]propanamide has a molecular weight of 354.45 g/mol, XLogP of 2.73, 4 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-phenylpyrazol-4-yl)-2-[(3R)-3-methyl-4-oxopiperidin-1-yl]propanamide is sourced from PubChem (CID 100626167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).