2,5-dimethyl-N-[3-(3-pyridin-3-ylphenyl)propyl]pyrazole-3-carboxamide

C20H22N4O — CID 138674387

IUPAC2,5-dimethyl-N-[3-(3-pyridin-3-ylphenyl)propyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCCc2cccc(-c3cccnc3)c2)n(C)n1
InChIInChI=1S/C20H22N4O/c1-15-12-19(24(2)23-15)20(25)22-11-4-7-16-6-3-8-17(13-16)18-9-5-10-21-14-18/h3,5-6,8-10,12-14H,4,7,11H2,1-2H3,(H,22,25)
InChIKeyGASGKTOZIVAJQV-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.15
Rot. Bonds6

About 2,5-dimethyl-N-[3-(3-pyridin-3-ylphenyl)propyl]pyrazole-3-carboxamide

2,5-dimethyl-N-[3-(3-pyridin-3-ylphenyl)propyl]pyrazole-3-carboxamide (PubChem CID 138674387) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2,5-dimethyl-N-[3-(3-pyridin-3-ylphenyl)propyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[3-(3-pyridin-3-ylphenyl)propyl]pyrazole-3-carboxamide
PubChem CID138674387
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2,5-dimethyl-N-[3-(3-pyridin-3-ylphenyl)propyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCCc2cccc(-c3cccnc3)c2)n(C)n1
InChIInChI=1S/C20H22N4O/c1-15-12-19(24(2)23-15)20(25)22-11-4-7-16-6-3-8-17(13-16)18-9-5-10-21-14-18/h3,5-6,8-10,12-14H,4,7,11H2,1-2H3,(H,22,25)
InChIKeyGASGKTOZIVAJQV-UHFFFAOYSA-N
XLogP3.15
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.15
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

2,5-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]pyrazole-3-carboxamide
CID 66126278
2,5-dimethyl-N-[2-(pyridin-3-ylamino)ethyl]pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 154887447
5-methyl-2-phenyl-N-(3-phenylpropyl)pyrazole-3-carboxamide
CID 20861279
N-[2-(4-hydroxyphenyl)ethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 61357227
N-[3-(3-hydroxyphenyl)propyl]pyridine-3-carboxamide
CID 84509269
6-methyl-N-[3-(3-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide
CID 138674427
1-methyl-3-N,5-N-bis(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide
CID 29097126
3-(3-propylphenyl)pyridine
CID 69055272
(2,5-dimethylpyrazol-3-yl)-pyridin-3-ylmethanone
CID 105081218
N-[3-(3-methylphenyl)propyl]pyrazine-2-carboxamide
CID 110661159
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide
CID 30954654
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87033969

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[3-(3-pyridin-3-ylphenyl)propyl]pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[3-(3-pyridin-3-ylphenyl)propyl]pyrazole-3-carboxamide (CID 138674387) is 2,5-dimethyl-N-[3-(3-pyridin-3-ylphenyl)propyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[3-(3-pyridin-3-ylphenyl)propyl]pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[3-(3-pyridin-3-ylphenyl)propyl]pyrazole-3-carboxamide is Cc1cc(C(=O)NCCCc2cccc(-c3cccnc3)c2)n(C)n1.
What is the InChIKey of 2,5-dimethyl-N-[3-(3-pyridin-3-ylphenyl)propyl]pyrazole-3-carboxamide?
The InChIKey is GASGKTOZIVAJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-15-12-19(24(2)23-15)20(25)22-11-4-7-16-6-3-8-17(13-16)18-9-5-10-21-14-18/h3,5-6,8-10,12-14H,4,7,11H2,1-2H3,(H,22,25).
What are the key properties of 2,5-dimethyl-N-[3-(3-pyridin-3-ylphenyl)propyl]pyrazole-3-carboxamide?
2,5-dimethyl-N-[3-(3-pyridin-3-ylphenyl)propyl]pyrazole-3-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[3-(3-pyridin-3-ylphenyl)propyl]pyrazole-3-carboxamide is sourced from PubChem (CID 138674387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).