1H-pyrazol-4-yl(pyrrolidin-1-yl)methanone

C8H11N3O — CID 43582286

IUPAC1H-pyrazol-4-yl(pyrrolidin-1-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCCC1
InChIInChI=1S/C8H11N3O/c12-8(7-5-9-10-6-7)11-3-1-2-4-11/h5-6H,1-4H2,(H,9,10)
InChIKeyZCTYYKNBCKBIMR-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.65
Rot. Bonds1

About 1H-pyrazol-4-yl(pyrrolidin-1-yl)methanone

1H-pyrazol-4-yl(pyrrolidin-1-yl)methanone (PubChem CID 43582286) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 1H-pyrazol-4-yl(pyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name1H-pyrazol-4-yl(pyrrolidin-1-yl)methanone
PubChem CID43582286
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name1H-pyrazol-4-yl(pyrrolidin-1-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCCC1
InChIInChI=1S/C8H11N3O/c12-8(7-5-9-10-6-7)11-3-1-2-4-11/h5-6H,1-4H2,(H,9,10)
InChIKeyZCTYYKNBCKBIMR-UHFFFAOYSA-N
XLogP0.65
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 13450481
1H-Pyrazole-4-carboxamide
CID 17854756
N-ethyl-1H-pyrazole-4-carboxamide
CID 43582334
[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1H-pyrazol-4-yl)methanone
CID 45239009
1-(1H-pyrazole-4-carbonyl)piperidin-4-amine
CID 43565570
N-{[1-(2-Methoxyethyl)pyrrolidin-3-YL]methyl}-1H-pyrazole-4-carboxamide
CID 91843924
1-[[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one
CID 99948671
2-(1H-pyrazol-4-ylcarbonyl)-2-azaspiro[4.4]nonane
CID 124205376
N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-1H-pyrazole-4-carboxamide
CID 125526617
N-(3,3-difluorocyclobutyl)-1H-pyrazole-4-carboxamide
CID 126776789
[(3S)-3-propyl-4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 164631489
N-Methyl-1H-pyrazole-4-carboxamide
CID 43582329

Frequently Asked Questions

What is the IUPAC name of 1H-pyrazol-4-yl(pyrrolidin-1-yl)methanone?
The IUPAC name of 1H-pyrazol-4-yl(pyrrolidin-1-yl)methanone (CID 43582286) is 1H-pyrazol-4-yl(pyrrolidin-1-yl)methanone.
What is the SMILES notation for 1H-pyrazol-4-yl(pyrrolidin-1-yl)methanone?
The canonical SMILES for 1H-pyrazol-4-yl(pyrrolidin-1-yl)methanone is O=C(c1cn[nH]c1)N1CCCC1.
What is the InChIKey of 1H-pyrazol-4-yl(pyrrolidin-1-yl)methanone?
The InChIKey is ZCTYYKNBCKBIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c12-8(7-5-9-10-6-7)11-3-1-2-4-11/h5-6H,1-4H2,(H,9,10).
What are the key properties of 1H-pyrazol-4-yl(pyrrolidin-1-yl)methanone?
1H-pyrazol-4-yl(pyrrolidin-1-yl)methanone has a molecular weight of 165.20 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazol-4-yl(pyrrolidin-1-yl)methanone is sourced from PubChem (CID 43582286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).