1-(cyclopropylmethyl)-5-oxo-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide

C12H16N4O2 — CID 43429828

IUPAC1-(cyclopropylmethyl)-5-oxo-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1)C1CC(=O)N(CC2CC2)C1
InChIInChI=1S/C12H16N4O2/c17-11-3-9(7-16(11)6-8-1-2-8)12(18)15-10-4-13-14-5-10/h4-5,8-9H,1-3,6-7H2,(H,13,14)(H,15,18)
InChIKeyOWVCSRFJTKDOPX-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.61
Rot. Bonds4

About 1-(cyclopropylmethyl)-5-oxo-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide

1-(cyclopropylmethyl)-5-oxo-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide (PubChem CID 43429828) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-oxo-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-oxo-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
PubChem CID43429828
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name1-(cyclopropylmethyl)-5-oxo-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1)C1CC(=O)N(CC2CC2)C1
InChIInChI=1S/C12H16N4O2/c17-11-3-9(7-16(11)6-8-1-2-8)12(18)15-10-4-13-14-5-10/h4-5,8-9H,1-3,6-7H2,(H,13,14)(H,15,18)
InChIKeyOWVCSRFJTKDOPX-UHFFFAOYSA-N
XLogP0.61
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-5-oxo-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 43429776
5-oxo-1-propan-2-yl-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 43429829
(3S)-1-(cyclopropylmethyl)-N-[6-(4-methylphenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide
CID 94010269
1-(cyclopropylmethyl)-N-(5-ethyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 47423411
1-(cyclopropylmethyl)-N-[2-(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 61497970
(3R)-1-(cyclopropylmethyl)-5-oxo-N-(5-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 97016454
2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]oxyacetic acid
CID 63914040
N-(2-amino-2-oxoethoxy)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 112550437
methyl 2-[[(3R)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate
CID 94094068
1,1-dioxo-N-(1H-pyrazol-4-yl)thiolane-3-carboxamide
CID 43429642
1-(cyclopropylmethyl)-N-(3-methyl-2-propan-2-ylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 102914550
(3S)-1-(cyclopropylmethyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 95129571

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-oxo-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-5-oxo-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide (CID 43429828) is 1-(cyclopropylmethyl)-5-oxo-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-oxo-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-5-oxo-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide is O=C(Nc1cn[nH]c1)C1CC(=O)N(CC2CC2)C1.
What is the InChIKey of 1-(cyclopropylmethyl)-5-oxo-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is OWVCSRFJTKDOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c17-11-3-9(7-16(11)6-8-1-2-8)12(18)15-10-4-13-14-5-10/h4-5,8-9H,1-3,6-7H2,(H,13,14)(H,15,18).
What are the key properties of 1-(cyclopropylmethyl)-5-oxo-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide?
1-(cyclopropylmethyl)-5-oxo-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-oxo-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 43429828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).