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

C9H14N4O — CID 130748030

IUPACN-(1H-pyrazol-4-yl)-2-[(3S)-pyrrolidin-3-yl]acetamide
SMILESO=C(C[C@@H]1CCNC1)Nc1cn[nH]c1
InChIInChI=1S/C9H14N4O/c14-9(3-7-1-2-10-4-7)13-8-5-11-12-6-8/h5-7,10H,1-4H2,(H,11,12)(H,13,14)/t7-/m0/s1
InChIKeyNIHKOZOHBPQOAI-ZETCQYMHSA-N
MW194.24 g/mol
LogP0.35
Rot. Bonds3

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

N-(1H-pyrazol-4-yl)-2-[(3S)-pyrrolidin-3-yl]acetamide (PubChem CID 130748030) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is N-(1H-pyrazol-4-yl)-2-[(3S)-pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(1H-pyrazol-4-yl)-2-[(3S)-pyrrolidin-3-yl]acetamide
PubChem CID130748030
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC NameN-(1H-pyrazol-4-yl)-2-[(3S)-pyrrolidin-3-yl]acetamide
SMILESO=C(C[C@@H]1CCNC1)Nc1cn[nH]c1
InChIInChI=1S/C9H14N4O/c14-9(3-7-1-2-10-4-7)13-8-5-11-12-6-8/h5-7,10H,1-4H2,(H,11,12)(H,13,14)/t7-/m0/s1
InChIKeyNIHKOZOHBPQOAI-ZETCQYMHSA-N
XLogP0.35
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-pyrazol-4-yl)-2-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride
CID 130748029
N-pyrimidin-5-yl-2-pyrrolidin-3-ylacetamide
CID 107588558
N-(6-fluoro-3-pyridinyl)-2-pyrrolidin-3-ylacetamide
CID 104954698
N-(5-bromo-6-chloro-3-pyridinyl)-2-pyrrolidin-3-ylacetamide
CID 114050443
N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide
CID 58770019
N-(piperidin-4-ylmethyl)-1H-pyrazol-4-amine
CID 79707456
3-oxo-N-(1H-pyrazol-4-yl)butanamide
CID 43540271
N-(3H-benzimidazol-5-yl)-2-pyrrolidin-3-ylacetamide
CID 115160286
N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylacetamide
CID 62675763
N-(3-bromo-4-fluorophenyl)-2-pyrrolidin-3-ylacetamide
CID 113452141
4-(pyrrolidin-3-ylmethyl)-1H-pyrazole
CID 83479564
2-piperidin-3-yl-N-(1-propan-2-ylpyrazol-4-yl)acetamide
CID 62902855

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-yl)-2-[(3S)-pyrrolidin-3-yl]acetamide?
The IUPAC name of N-(1H-pyrazol-4-yl)-2-[(3S)-pyrrolidin-3-yl]acetamide (CID 130748030) is N-(1H-pyrazol-4-yl)-2-[(3S)-pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-(1H-pyrazol-4-yl)-2-[(3S)-pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-(1H-pyrazol-4-yl)-2-[(3S)-pyrrolidin-3-yl]acetamide is O=C(C[C@@H]1CCNC1)Nc1cn[nH]c1.
What is the InChIKey of N-(1H-pyrazol-4-yl)-2-[(3S)-pyrrolidin-3-yl]acetamide?
The InChIKey is NIHKOZOHBPQOAI-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14N4O/c14-9(3-7-1-2-10-4-7)13-8-5-11-12-6-8/h5-7,10H,1-4H2,(H,11,12)(H,13,14)/t7-/m0/s1.
What are the key properties of N-(1H-pyrazol-4-yl)-2-[(3S)-pyrrolidin-3-yl]acetamide?
N-(1H-pyrazol-4-yl)-2-[(3S)-pyrrolidin-3-yl]acetamide has a molecular weight of 194.24 g/mol, XLogP of 0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-yl)-2-[(3S)-pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 130748030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).