N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide

C8H12N4O — CID 20784960

IUPACN-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cn[nH]c1)C1CCCN1
InChIInChI=1S/C8H12N4O/c13-8(7-2-1-3-9-7)12-6-4-10-11-5-6/h4-5,7,9H,1-3H2,(H,10,11)(H,12,13)
InChIKeyGZMRLQQHZHJGCE-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.10
Rot. Bonds2

About N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide

N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide (PubChem CID 20784960) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide
PubChem CID20784960
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC NameN-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cn[nH]c1)C1CCCN1
InChIInChI=1S/C8H12N4O/c13-8(7-2-1-3-9-7)12-6-4-10-11-5-6/h4-5,7,9H,1-3H2,(H,10,11)(H,12,13)
InChIKeyGZMRLQQHZHJGCE-UHFFFAOYSA-N
XLogP0.10
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 ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide (CID 20784960) is N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide is O=C(Nc1cn[nH]c1)C1CCCN1.
What is the InChIKey of N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is GZMRLQQHZHJGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c13-8(7-2-1-3-9-7)12-6-4-10-11-5-6/h4-5,7,9H,1-3H2,(H,10,11)(H,12,13).
What are the key properties of N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide?
N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 180.21 g/mol, XLogP of 0.10, 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-2-carboxamide is sourced from PubChem (CID 20784960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).