N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide

C8H12N4O — CID 63006229

IUPACN-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1)C1CCNC1
InChIInChI=1S/C8H12N4O/c13-8(6-1-2-9-3-6)12-7-4-10-11-5-7/h4-6,9H,1-3H2,(H,10,11)(H,12,13)
InChIKeyDWRDTRORMGVBGU-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.04
Rot. Bonds2

About N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide

N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide (PubChem CID 63006229) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
PubChem CID63006229
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC NameN-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1)C1CCNC1
InChIInChI=1S/C8H12N4O/c13-8(6-1-2-9-3-6)12-7-4-10-11-5-7/h4-6,9H,1-3H2,(H,10,11)(H,12,13)
InChIKeyDWRDTRORMGVBGU-UHFFFAOYSA-N
XLogP-0.04
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxylic acid
CID 43539700
1-amino-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide hydrochloride
CID 165469821
3-amino-2-methyl-N-(1H-pyrazol-4-yl)propanamide
CID 54592830
1-(1h-Pyrazol-4-yl)pyrrolidin-2-one
CID 134691297
5-oxo-N-(1H-pyrazol-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43429719
N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708423
4,4,4-trifluoro-N-(1H-pyrazol-4-yl)butanamide
CID 65711581
N-methyl-5-oxo-N-(1H-pyrazol-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 75376451
1-amino-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide
CID 81179351
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
CID 119792891
N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
CID 119796083
4,4-difluoro-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide
CID 120348370

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide (CID 63006229) is N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide is O=C(Nc1cn[nH]c1)C1CCNC1.
What is the InChIKey of N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is DWRDTRORMGVBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c13-8(6-1-2-9-3-6)12-7-4-10-11-5-7/h4-6,9H,1-3H2,(H,10,11)(H,12,13).
What are the key properties of N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide?
N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 180.21 g/mol, XLogP of -0.04, 2 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)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63006229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).