N-[1-[(3S)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide

C14H18N6O — CID 129325783

IUPACN-[1-[(3S)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn([C@H]2CCN(c3nccc(C)n3)C2)n1
InChIInChI=1S/C14H18N6O/c1-10-3-6-15-14(16-10)19-7-4-12(9-19)20-8-5-13(18-20)17-11(2)21/h3,5-6,8,12H,4,7,9H2,1-2H3,(H,17,18,21)/t12-/m0/s1
InChIKeyCHUMUCVOQPFHDY-LBPRGKRZSA-N
MW286.34 g/mol
LogP1.39
Rot. Bonds3

About N-[1-[(3S)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide

N-[1-[(3S)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide (PubChem CID 129325783) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is N-[1-[(3S)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(3S)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
PubChem CID129325783
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC NameN-[1-[(3S)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn([C@H]2CCN(c3nccc(C)n3)C2)n1
InChIInChI=1S/C14H18N6O/c1-10-3-6-15-14(16-10)19-7-4-12(9-19)20-8-5-13(18-20)17-11(2)21/h3,5-6,8,12H,4,7,9H2,1-2H3,(H,17,18,21)/t12-/m0/s1
InChIKeyCHUMUCVOQPFHDY-LBPRGKRZSA-N
XLogP1.39
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(3S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129326453
N-[1-[(3R)-1-(6-methylpyrazin-2-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129325497
(3S)-3-(3-acetamidopyrazol-1-yl)-N-pyridin-2-ylpyrrolidine-1-carboxamide
CID 129329890
N-(4-acetamidophenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223397
N-[1-[1-(2-methylfuran-3-carbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129004090
N-[1-[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129006730
N-[1-[1-(3-methylfuran-2-carbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 128997241
N-[1-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129004093
N-[1-[(3R)-1-(4-cyano-2-fluorophenyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129327787
N-[(3S)-1-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]pyrrolidin-3-yl]acetamide
CID 95130529
N,N-dimethyl-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-amine
CID 123144666
N-[1-[(3R)-1-[2-(diethylamino)ethyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129341818

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3S)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The IUPAC name of N-[1-[(3S)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide (CID 129325783) is N-[1-[(3S)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[1-[(3S)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The canonical SMILES for N-[1-[(3S)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide is CC(=O)Nc1ccn([C@H]2CCN(c3nccc(C)n3)C2)n1.
What is the InChIKey of N-[1-[(3S)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The InChIKey is CHUMUCVOQPFHDY-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N6O/c1-10-3-6-15-14(16-10)19-7-4-12(9-19)20-8-5-13(18-20)17-11(2)21/h3,5-6,8,12H,4,7,9H2,1-2H3,(H,17,18,21)/t12-/m0/s1.
What are the key properties of N-[1-[(3S)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
N-[1-[(3S)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide has a molecular weight of 286.34 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3S)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 129325783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).