N-(1H-pyrazol-4-yl)pyrrolidine-1-carboxamide

C8H12N4O — CID 20784959

IUPACN-(1H-pyrazol-4-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cn[nH]c1)N1CCCC1
InChIInChI=1S/C8H12N4O/c13-8(12-3-1-2-4-12)11-7-5-9-10-6-7/h5-6H,1-4H2,(H,9,10)(H,11,13)
InChIKeyBRZCCGKKQGDEPJ-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.04
Rot. Bonds1

About N-(1H-pyrazol-4-yl)pyrrolidine-1-carboxamide

N-(1H-pyrazol-4-yl)pyrrolidine-1-carboxamide (PubChem CID 20784959) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is N-(1H-pyrazol-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(1H-pyrazol-4-yl)pyrrolidine-1-carboxamide
PubChem CID20784959
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC NameN-(1H-pyrazol-4-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cn[nH]c1)N1CCCC1
InChIInChI=1S/C8H12N4O/c13-8(12-3-1-2-4-12)11-7-5-9-10-6-7/h5-6H,1-4H2,(H,9,10)(H,11,13)
InChIKeyBRZCCGKKQGDEPJ-UHFFFAOYSA-N
XLogP1.04
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-Ethylpyrazol-4-yl)-3-(2-pyrrolidin-1-ylpropyl)urea
CID 53504548
1-(1-Ethylpyrazol-4-yl)-3-(2-pyrrolidin-1-ylbutyl)urea
CID 53506142
1-(1H-pyrazol-4-yl)-3-(2-pyrrolidin-1-ylpropyl)urea
CID 71893198
N-(4-pyrazolyl)urea
CID 43540216
1-(1h-Pyrazol-4-yl)pyrrolidin-2-one
CID 134691297
1-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-3-(1H-pyrazol-4-yl)urea
CID 53503098
1-[2-(dimethylamino)propyl]-3-(1H-pyrazol-4-yl)urea
CID 53505344
1-cyclopentyl-3-(1H-pyrazol-4-yl)-1-(3,3,3-trifluoropropyl)urea
CID 71859104
1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1H-pyrazol-4-yl)urea
CID 71893159
1-(1H-pyrazol-4-yl)-3-(2-pyrrolidin-1-ylbutyl)urea
CID 71893203
1-butyl-3-(1H-pyrazol-4-yl)-1-(2,2,2-trifluoroethyl)urea
CID 72045102
1-[2-[cyclohexyl(methyl)amino]ethyl]-3-(1H-pyrazol-4-yl)urea
CID 72046986

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(1H-pyrazol-4-yl)pyrrolidine-1-carboxamide (CID 20784959) is N-(1H-pyrazol-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(1H-pyrazol-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(1H-pyrazol-4-yl)pyrrolidine-1-carboxamide is O=C(Nc1cn[nH]c1)N1CCCC1.
What is the InChIKey of N-(1H-pyrazol-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is BRZCCGKKQGDEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c13-8(12-3-1-2-4-12)11-7-5-9-10-6-7/h5-6H,1-4H2,(H,9,10)(H,11,13).
What are the key properties of N-(1H-pyrazol-4-yl)pyrrolidine-1-carboxamide?
N-(1H-pyrazol-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 180.21 g/mol, XLogP of 1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 20784959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).