1-propan-2-yl-N-[3-(4-propan-2-ylphenyl)propyl]pyrazole-3-carboxamide

C19H27N3O — CID 86963269

IUPAC1-propan-2-yl-N-[3-(4-propan-2-ylphenyl)propyl]pyrazole-3-carboxamide
SMILESCC(C)c1ccc(CCCNC(=O)c2ccn(C(C)C)n2)cc1
InChIInChI=1S/C19H27N3O/c1-14(2)17-9-7-16(8-10-17)6-5-12-20-19(23)18-11-13-22(21-18)15(3)4/h7-11,13-15H,5-6,12H2,1-4H3,(H,20,23)
InChIKeyVYHRTNRADFXRDD-UHFFFAOYSA-N
MW313.45 g/mol
LogP3.95
Rot. Bonds7

About 1-propan-2-yl-N-[3-(4-propan-2-ylphenyl)propyl]pyrazole-3-carboxamide

1-propan-2-yl-N-[3-(4-propan-2-ylphenyl)propyl]pyrazole-3-carboxamide (PubChem CID 86963269) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is 1-propan-2-yl-N-[3-(4-propan-2-ylphenyl)propyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-propan-2-yl-N-[3-(4-propan-2-ylphenyl)propyl]pyrazole-3-carboxamide
PubChem CID86963269
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC Name1-propan-2-yl-N-[3-(4-propan-2-ylphenyl)propyl]pyrazole-3-carboxamide
SMILESCC(C)c1ccc(CCCNC(=O)c2ccn(C(C)C)n2)cc1
InChIInChI=1S/C19H27N3O/c1-14(2)17-9-7-16(8-10-17)6-5-12-20-19(23)18-11-13-22(21-18)15(3)4/h7-11,13-15H,5-6,12H2,1-4H3,(H,20,23)
InChIKeyVYHRTNRADFXRDD-UHFFFAOYSA-N
XLogP3.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(imidazol-1-ylmethyl)-N-[3-(4-propan-2-ylphenyl)propyl]benzamide
CID 100571968
(2S)-2-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide
CID 119322585
2-(4-aminophenyl)-N-[3-(4-propan-2-ylphenyl)propyl]acetamide
CID 119781845
N-[2-(methylamino)propyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 120831813
5-propan-2-yl-N-[3-(4-propan-2-ylphenyl)propyl]-1,3-oxazole-4-carboxamide
CID 86963264
2-[3-[2-(4-methoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19623530
2-amino-N-[3-(4-propan-2-ylphenyl)propyl]acetamide;hydrochloride
CID 119322588
N-(3-methoxypropyl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide
CID 19276079
2-methyl-3-(methylamino)-N-[3-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride
CID 119781866
N-hexyl-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide
CID 19275835
N-[2-(1-methoxycyclobutyl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 125143795
1-[(4-propan-2-ylphenoxy)methyl]-N-propylpyrazole-3-carboxamide
CID 19275922

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-[3-(4-propan-2-ylphenyl)propyl]pyrazole-3-carboxamide?
The IUPAC name of 1-propan-2-yl-N-[3-(4-propan-2-ylphenyl)propyl]pyrazole-3-carboxamide (CID 86963269) is 1-propan-2-yl-N-[3-(4-propan-2-ylphenyl)propyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-propan-2-yl-N-[3-(4-propan-2-ylphenyl)propyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-propan-2-yl-N-[3-(4-propan-2-ylphenyl)propyl]pyrazole-3-carboxamide is CC(C)c1ccc(CCCNC(=O)c2ccn(C(C)C)n2)cc1.
What is the InChIKey of 1-propan-2-yl-N-[3-(4-propan-2-ylphenyl)propyl]pyrazole-3-carboxamide?
The InChIKey is VYHRTNRADFXRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-14(2)17-9-7-16(8-10-17)6-5-12-20-19(23)18-11-13-22(21-18)15(3)4/h7-11,13-15H,5-6,12H2,1-4H3,(H,20,23).
What are the key properties of 1-propan-2-yl-N-[3-(4-propan-2-ylphenyl)propyl]pyrazole-3-carboxamide?
1-propan-2-yl-N-[3-(4-propan-2-ylphenyl)propyl]pyrazole-3-carboxamide has a molecular weight of 313.45 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-[3-(4-propan-2-ylphenyl)propyl]pyrazole-3-carboxamide is sourced from PubChem (CID 86963269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).