N-(1H-pyrazol-5-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide

C14H17N5O — CID 53498327

IUPACN-(1H-pyrazol-5-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESO=C(NCc1ccn[nH]1)N1CCCC1c1ccncc1
InChIInChI=1S/C14H17N5O/c20-14(16-10-12-5-8-17-18-12)19-9-1-2-13(19)11-3-6-15-7-4-11/h3-8,13H,1-2,9-10H2,(H,16,20)(H,17,18)
InChIKeyXLWDVBPCFIKYQM-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.85
Rot. Bonds3

About N-(1H-pyrazol-5-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide

N-(1H-pyrazol-5-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide (PubChem CID 53498327) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(1H-pyrazol-5-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(1H-pyrazol-5-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
PubChem CID53498327
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC NameN-(1H-pyrazol-5-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESO=C(NCc1ccn[nH]1)N1CCCC1c1ccncc1
InChIInChI=1S/C14H17N5O/c20-14(16-10-12-5-8-17-18-12)19-9-1-2-13(19)11-3-6-15-7-4-11/h3-8,13H,1-2,9-10H2,(H,16,20)(H,17,18)
InChIKeyXLWDVBPCFIKYQM-UHFFFAOYSA-N
XLogP1.85
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-pyrazol-5-yl)pyridine
CID 7074967
(3-(pyridin-3-yl)-1H-pyrazol-5-yl)methanamine
CID 11993870
2-methyl-5-(1H-pyrazol-5-yl)pyridine
CID 2805912
4-(1H-Pyrazol-3-yl)pyridine
CID 16412755
4-[3-(Piperidin-4-yl)-1H-pyrazol-5-yl]pyridine
CID 46937430
N-[2-(3-phenylpyrazol-1-yl)propyl]piperidine-1-carboxamide
CID 118514522
N-[1-(3-phenylpyrazol-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 118514528
N-[2-(3-phenylpyrazol-1-yl)ethyl]piperidine-1-carboxamide
CID 118524339
US10343992, Example 234
CID 122590732
N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide
CID 123583803
1-(1-phenyl-2-(1H-pyrazol-1-yl)ethyl)-3-(1-((1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl)piperidin-4-yl)urea
CID 45273801
1-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-phenylethyl)-3-(1-((1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl)piperidin-4-yl)urea
CID 45273802

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-(1H-pyrazol-5-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide (CID 53498327) is N-(1H-pyrazol-5-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(1H-pyrazol-5-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(1H-pyrazol-5-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide is O=C(NCc1ccn[nH]1)N1CCCC1c1ccncc1.
What is the InChIKey of N-(1H-pyrazol-5-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The InChIKey is XLWDVBPCFIKYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c20-14(16-10-12-5-8-17-18-12)19-9-1-2-13(19)11-3-6-15-7-4-11/h3-8,13H,1-2,9-10H2,(H,16,20)(H,17,18).
What are the key properties of N-(1H-pyrazol-5-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide?
N-(1H-pyrazol-5-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 53498327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).