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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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).