N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide

C14H18N4O — CID 30954654

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)c2cccnc2)n1
InChIInChI=1S/C14H18N4O/c1-11-9-12(2)18(17-11)8-4-7-16-14(19)13-5-3-6-15-10-13/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,16,19)
InChIKeyNOBUFKQPQXAWHE-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.72
Rot. Bonds5

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide (PubChem CID 30954654) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide
PubChem CID30954654
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)c2cccnc2)n1
InChIInChI=1S/C14H18N4O/c1-11-9-12(2)18(17-11)8-4-7-16-14(19)13-5-3-6-15-10-13/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,16,19)
InChIKeyNOBUFKQPQXAWHE-UHFFFAOYSA-N
XLogP1.72
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridazine-4-carboxamide
CID 77095486
3-(chloromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 43470690
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide
CID 35284531
3,4-dichloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 30954663
3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2-carboxamide
CID 114536613
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-hydrazinylpyridine-4-carboxamide
CID 105072536
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-nitrobenzamide
CID 19293636
6-(diethylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide
CID 47080116
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-iodothiophene-3-carboxamide
CID 78949506
N-(3-pyrrol-1-ylpropyl)pyridine-3-carboxamide
CID 90500651
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethoxybenzamide
CID 19293707

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide (CID 30954654) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide is Cc1cc(C)n(CCCNC(=O)c2cccnc2)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide?
The InChIKey is NOBUFKQPQXAWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-11-9-12(2)18(17-11)8-4-7-16-14(19)13-5-3-6-15-10-13/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,16,19).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 30954654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).