5-cyclopropyl-N-[[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide

C18H23N5O — CID 56711461

IUPAC5-cyclopropyl-N-[[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NCC1CCN(Cc2ccccn2)C1)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C18H23N5O/c24-18(17-9-16(21-22-17)14-4-5-14)20-10-13-6-8-23(11-13)12-15-3-1-2-7-19-15/h1-3,7,9,13-14H,4-6,8,10-12H2,(H,20,24)(H,21,22)
InChIKeyMRZKDLSCWYPISZ-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.93
Rot. Bonds6

About 5-cyclopropyl-N-[[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide (PubChem CID 56711461) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 5-cyclopropyl-N-[[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide
PubChem CID56711461
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name5-cyclopropyl-N-[[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NCC1CCN(Cc2ccccn2)C1)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C18H23N5O/c24-18(17-9-16(21-22-17)14-4-5-14)20-10-13-6-8-23(11-13)12-15-3-1-2-7-19-15/h1-3,7,9,13-14H,4-6,8,10-12H2,(H,20,24)(H,21,22)
InChIKeyMRZKDLSCWYPISZ-UHFFFAOYSA-N
XLogP1.93
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 16896080
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CID 16896001
3-fluoro-2-methoxy-N-[[(3S)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]benzamide
CID 95194083
N-(cyclohexylmethyl)-3-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92577417
4-methoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895998
1-benzyl-3-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]urea
CID 95201612
2-oxo-N-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]butanamide
CID 95227434
4-cyano-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
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5-(1-methylpyrrolidin-2-yl)-N-(2-pyridin-2-ylethyl)-1H-pyrazole-3-carboxamide
CID 126824398
2-(3-methylphenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 16896062
[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 71644926
N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-3-hydroxypyridine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide (CID 56711461) is 5-cyclopropyl-N-[[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide is O=C(NCC1CCN(Cc2ccccn2)C1)c1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-cyclopropyl-N-[[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is MRZKDLSCWYPISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c24-18(17-9-16(21-22-17)14-4-5-14)20-10-13-6-8-23(11-13)12-15-3-1-2-7-19-15/h1-3,7,9,13-14H,4-6,8,10-12H2,(H,20,24)(H,21,22).
What are the key properties of 5-cyclopropyl-N-[[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56711461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).