N-[1-(1-adamantyl)propyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide

C30H35N3O — CID 19473397

IUPACN-[1-(1-adamantyl)propyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
SMILESCCC(NC(=O)c1c(-c2ccccc2)nn(-c2ccccc2)c1C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C30H35N3O/c1-3-26(30-17-21-14-22(18-30)16-23(15-21)19-30)31-29(34)27-20(2)33(25-12-8-5-9-13-25)32-28(27)24-10-6-4-7-11-24/h4-13,21-23,26H,3,14-19H2,1-2H3,(H,31,34)
InChIKeyFCOSNNNIYAXOFL-UHFFFAOYSA-N
MW453.63 g/mol
LogP6.57
Rot. Bonds6

About N-[1-(1-adamantyl)propyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide

N-[1-(1-adamantyl)propyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 19473397) has the molecular formula C30H35N3O and a molecular weight of 453.63 g/mol. Its IUPAC name is N-[1-(1-adamantyl)propyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)propyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
PubChem CID19473397
Molecular FormulaC30H35N3O
Molecular Weight453.63 g/mol
Exact Mass453.28
IUPAC NameN-[1-(1-adamantyl)propyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
SMILESCCC(NC(=O)c1c(-c2ccccc2)nn(-c2ccccc2)c1C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C30H35N3O/c1-3-26(30-17-21-14-22(18-30)16-23(15-21)19-30)31-29(34)27-20(2)33(25-12-8-5-9-13-25)32-28(27)24-10-6-4-7-11-24/h4-13,21-23,26H,3,14-19H2,1-2H3,(H,31,34)
InChIKeyFCOSNNNIYAXOFL-UHFFFAOYSA-N
XLogP6.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.63
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(1-adamantyl)propyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 40726754
N,5-dimethyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473549
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473347
5-methyl-1,3-diphenylpyrazole-4-carboxylic acid
CID 673680
5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide
CID 19473385
5-methyl-1,3-diphenylpyrazole-4-carboxylate
CID 4739263
5-methyl-1,3-diphenyl-N,N-di(propan-2-yl)pyrazole-4-carboxamide
CID 3079315
5-methyl-1,3-diphenyl-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide
CID 4016241
2-[3-[1-(1-adamantyl)propylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19500151
N-[1-(1-adamantyl)propyl]-2-methylpyrazole-3-carboxamide
CID 17168155
N-(2,3-dimethylphenyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473295
N-(3-hydroxyphenyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473579

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)propyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(1-adamantyl)propyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide (CID 19473397) is N-[1-(1-adamantyl)propyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(1-adamantyl)propyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(1-adamantyl)propyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide is CCC(NC(=O)c1c(-c2ccccc2)nn(-c2ccccc2)c1C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)propyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is FCOSNNNIYAXOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O/c1-3-26(30-17-21-14-22(18-30)16-23(15-21)19-30)31-29(34)27-20(2)33(25-12-8-5-9-13-25)32-28(27)24-10-6-4-7-11-24/h4-13,21-23,26H,3,14-19H2,1-2H3,(H,31,34).
What are the key properties of N-[1-(1-adamantyl)propyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide?
N-[1-(1-adamantyl)propyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 453.63 g/mol, XLogP of 6.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)propyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 19473397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).