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

C14H18N6O2 — CID 129326453

IUPACN-[1-[(3S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
SMILESCOc1ccnc(N2CC[C@H](n3ccc(NC(C)=O)n3)C2)n1
InChIInChI=1S/C14H18N6O2/c1-10(21)16-12-5-8-20(18-12)11-4-7-19(9-11)14-15-6-3-13(17-14)22-2/h3,5-6,8,11H,4,7,9H2,1-2H3,(H,16,18,21)/t11-/m0/s1
InChIKeyKBQAWHLNYMDOLU-NSHDSACASA-N
MW302.34 g/mol
LogP1.09
Rot. Bonds4

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

N-[1-[(3S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide (PubChem CID 129326453) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is N-[1-[(3S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(3S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
PubChem CID129326453
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC NameN-[1-[(3S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
SMILESCOc1ccnc(N2CC[C@H](n3ccc(NC(C)=O)n3)C2)n1
InChIInChI=1S/C14H18N6O2/c1-10(21)16-12-5-8-20(18-12)11-4-7-19(9-11)14-15-6-3-13(17-14)22-2/h3,5-6,8,11H,4,7,9H2,1-2H3,(H,16,18,21)/t11-/m0/s1
InChIKeyKBQAWHLNYMDOLU-NSHDSACASA-N
XLogP1.09
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-[(3S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[(3S)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129325783
1-[(3S)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 129475784
N-[1-[(3R)-1-(6-methylpyrazin-2-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129325497
N-(2-acetamidoethyl)-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide
CID 31895955
1-(4-fluorophenyl)-3-[(3S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]urea
CID 94818794
[4-[(3S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 143256066
(3S)-3-(3-acetamidopyrazol-1-yl)-N-pyridin-2-ylpyrrolidine-1-carboxamide
CID 129329890
N-[1-[1-[3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 154792649
1-(4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 31968556
2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]acetic acid
CID 55104995
N-tert-butyl-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxamide
CID 166600760
4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 166900843

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The IUPAC name of N-[1-[(3S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide (CID 129326453) is N-[1-[(3S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[1-[(3S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The canonical SMILES for N-[1-[(3S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide is COc1ccnc(N2CC[C@H](n3ccc(NC(C)=O)n3)C2)n1.
What is the InChIKey of N-[1-[(3S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The InChIKey is KBQAWHLNYMDOLU-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N6O2/c1-10(21)16-12-5-8-20(18-12)11-4-7-19(9-11)14-15-6-3-13(17-14)22-2/h3,5-6,8,11H,4,7,9H2,1-2H3,(H,16,18,21)/t11-/m0/s1.
What are the key properties of N-[1-[(3S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
N-[1-[(3S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide has a molecular weight of 302.34 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 129326453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).