3-(1-adamantyl)-N,N-diethyl-1-phenylpyrazole-4-carboxamide

C24H31N3O — CID 3127225

IUPAC3-(1-adamantyl)-N,N-diethyl-1-phenylpyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H31N3O/c1-3-26(4-2)23(28)21-16-27(20-8-6-5-7-9-20)25-22(21)24-13-17-10-18(14-24)12-19(11-17)15-24/h5-9,16-19H,3-4,10-15H2,1-2H3
InChIKeyYLLAXADQRSHOST-UHFFFAOYSA-N
MW377.53 g/mol
LogP4.82
Rot. Bonds5

About 3-(1-adamantyl)-N,N-diethyl-1-phenylpyrazole-4-carboxamide

3-(1-adamantyl)-N,N-diethyl-1-phenylpyrazole-4-carboxamide (PubChem CID 3127225) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is 3-(1-adamantyl)-N,N-diethyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(1-adamantyl)-N,N-diethyl-1-phenylpyrazole-4-carboxamide
PubChem CID3127225
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name3-(1-adamantyl)-N,N-diethyl-1-phenylpyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H31N3O/c1-3-26(4-2)23(28)21-16-27(20-8-6-5-7-9-20)25-22(21)24-13-17-10-18(14-24)12-19(11-17)15-24/h5-9,16-19H,3-4,10-15H2,1-2H3
InChIKeyYLLAXADQRSHOST-UHFFFAOYSA-N
XLogP4.82
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Diphenyl-1H-pyrazole-4-carboxaldehyde
CID 555820
1H-Pyrazole-4-carboxamide, 1,3-diphenyl-5-methyl-N-(phenylmethyl)-
CID 997622
3-(4-fluorophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 700989
N-(3-methylphenyl)-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 3510494
hCB1 Inhibitor, 2{1,1,8}
CID 11465875
1-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]carbonyl}piperidine
CID 1288695
N,5-dimethyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 850677
N-(2,4-dimethylphenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 850704
[1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-N,N-diethylcarboxamide
CID 2471334
N-allyl-1,5-diphenyl-1H-pyrazole-4-carboxamide
CID 3741646
2-(1,3-Diphenylpyrazol-4-yl)-1-piperidin-1-ylethanone
CID 4799063
N-benzyl-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850356

Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantyl)-N,N-diethyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(1-adamantyl)-N,N-diethyl-1-phenylpyrazole-4-carboxamide (CID 3127225) is 3-(1-adamantyl)-N,N-diethyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(1-adamantyl)-N,N-diethyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(1-adamantyl)-N,N-diethyl-1-phenylpyrazole-4-carboxamide is CCN(CC)C(=O)c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 3-(1-adamantyl)-N,N-diethyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is YLLAXADQRSHOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-3-26(4-2)23(28)21-16-27(20-8-6-5-7-9-20)25-22(21)24-13-17-10-18(14-24)12-19(11-17)15-24/h5-9,16-19H,3-4,10-15H2,1-2H3.
What are the key properties of 3-(1-adamantyl)-N,N-diethyl-1-phenylpyrazole-4-carboxamide?
3-(1-adamantyl)-N,N-diethyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 377.53 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantyl)-N,N-diethyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 3127225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).