1-(cyclopropylmethyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide

C19H25N5O — CID 166248647

IUPAC1-(cyclopropylmethyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
SMILESO=C(NCC(c1cccnc1)N1CCCC1)c1cnn(CC2CC2)c1
InChIInChI=1S/C19H25N5O/c25-19(17-11-22-24(14-17)13-15-5-6-15)21-12-18(23-8-1-2-9-23)16-4-3-7-20-10-16/h3-4,7,10-11,14-15,18H,1-2,5-6,8-9,12-13H2,(H,21,25)
InChIKeyDUJKQVYODZXQLY-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.26
Rot. Bonds7

About 1-(cyclopropylmethyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide

1-(cyclopropylmethyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide (PubChem CID 166248647) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
PubChem CID166248647
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name1-(cyclopropylmethyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
SMILESO=C(NCC(c1cccnc1)N1CCCC1)c1cnn(CC2CC2)c1
InChIInChI=1S/C19H25N5O/c25-19(17-11-22-24(14-17)13-15-5-6-15)21-12-18(23-8-1-2-9-23)16-4-3-7-20-10-16/h3-4,7,10-11,14-15,18H,1-2,5-6,8-9,12-13H2,(H,21,25)
InChIKeyDUJKQVYODZXQLY-UHFFFAOYSA-N
XLogP2.26
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-propyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
CID 166207360
1-(3-methoxypropyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
CID 166246499
N-[(2R)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 97187717
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide
CID 84506470
3,3-dicyclopropyl-N-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]propanamide
CID 97237164
5-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]thiophene-2-carboxylic acid
CID 74242695
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 16806482
4-chloro-3-(4-phenylphenyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)benzamide
CID 58791104
N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-4-piperidin-1-ylbenzamide
CID 92626765
N-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide
CID 95714741
4-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 74234117
2-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)furan-3-carboxamide
CID 131907416

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide (CID 166248647) is 1-(cyclopropylmethyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide is O=C(NCC(c1cccnc1)N1CCCC1)c1cnn(CC2CC2)c1.
What is the InChIKey of 1-(cyclopropylmethyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide?
The InChIKey is DUJKQVYODZXQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c25-19(17-11-22-24(14-17)13-15-5-6-15)21-12-18(23-8-1-2-9-23)16-4-3-7-20-10-16/h3-4,7,10-11,14-15,18H,1-2,5-6,8-9,12-13H2,(H,21,25).
What are the key properties of 1-(cyclopropylmethyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide?
1-(cyclopropylmethyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 166248647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).