1-(cyclopropanecarbonyl)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide

C18H21N5O2 — CID 71934842

IUPAC1-(cyclopropanecarbonyl)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccn(Cc2ccccn2)n1)C1CCCN1C(=O)C1CC1
InChIInChI=1S/C18H21N5O2/c24-17(15-5-3-10-23(15)18(25)13-6-7-13)20-16-8-11-22(21-16)12-14-4-1-2-9-19-14/h1-2,4,8-9,11,13,15H,3,5-7,10,12H2,(H,20,21,24)
InChIKeyFDRVYJPZXSHCHL-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.67
Rot. Bonds5

About 1-(cyclopropanecarbonyl)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide

1-(cyclopropanecarbonyl)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide (PubChem CID 71934842) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide
PubChem CID71934842
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name1-(cyclopropanecarbonyl)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccn(Cc2ccccn2)n1)C1CCCN1C(=O)C1CC1
InChIInChI=1S/C18H21N5O2/c24-17(15-5-3-10-23(15)18(25)13-6-7-13)20-16-8-11-22(21-16)12-14-4-1-2-9-19-14/h1-2,4,8-9,11,13,15H,3,5-7,10,12H2,(H,20,21,24)
InChIKeyFDRVYJPZXSHCHL-UHFFFAOYSA-N
XLogP1.67
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 71881009
(1S,2S,4S)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98730671
(3S)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94811681
cyclopropyl-[(2S)-2-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-1-yl]methanone
CID 118776457
cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 52536233
2,2-dichloro-1-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 71881007
4-phenyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]butanamide
CID 51101514
N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-4-pyrrol-1-ylbenzamide
CID 51101543
N-dodecyl-1-[1-(pyridin-2-ylmethyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 67813933
(3R)-N-(5-chloro-2-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95282049
3-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]benzamide
CID 51101562
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
CID 71984854

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide (CID 71934842) is 1-(cyclopropanecarbonyl)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide is O=C(Nc1ccn(Cc2ccccn2)n1)C1CCCN1C(=O)C1CC1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide?
The InChIKey is FDRVYJPZXSHCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c24-17(15-5-3-10-23(15)18(25)13-6-7-13)20-16-8-11-22(21-16)12-14-4-1-2-9-19-14/h1-2,4,8-9,11,13,15H,3,5-7,10,12H2,(H,20,21,24).
What are the key properties of 1-(cyclopropanecarbonyl)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide?
1-(cyclopropanecarbonyl)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 71934842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).