3-(1-adamantyl)-N-(4-cyano-1-methylpyrazol-5-yl)-1-phenylpyrazole-4-carboxamide

C25H26N6O — CID 19473841

IUPAC3-(1-adamantyl)-N-(4-cyano-1-methylpyrazol-5-yl)-1-phenylpyrazole-4-carboxamide
SMILESCn1ncc(C#N)c1NC(=O)c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H26N6O/c1-30-23(19(13-26)14-27-30)28-24(32)21-15-31(20-5-3-2-4-6-20)29-22(21)25-10-16-7-17(11-25)9-18(8-16)12-25/h2-6,14-18H,7-12H2,1H3,(H,28,32)
InChIKeyZBZNUTRKFWKGJF-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.20
Rot. Bonds4

About 3-(1-adamantyl)-N-(4-cyano-1-methylpyrazol-5-yl)-1-phenylpyrazole-4-carboxamide

3-(1-adamantyl)-N-(4-cyano-1-methylpyrazol-5-yl)-1-phenylpyrazole-4-carboxamide (PubChem CID 19473841) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is 3-(1-adamantyl)-N-(4-cyano-1-methylpyrazol-5-yl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(1-adamantyl)-N-(4-cyano-1-methylpyrazol-5-yl)-1-phenylpyrazole-4-carboxamide
PubChem CID19473841
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC Name3-(1-adamantyl)-N-(4-cyano-1-methylpyrazol-5-yl)-1-phenylpyrazole-4-carboxamide
SMILESCn1ncc(C#N)c1NC(=O)c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H26N6O/c1-30-23(19(13-26)14-27-30)28-24(32)21-15-31(20-5-3-2-4-6-20)29-22(21)25-10-16-7-17(11-25)9-18(8-16)12-25/h2-6,14-18H,7-12H2,1H3,(H,28,32)
InChIKeyZBZNUTRKFWKGJF-UHFFFAOYSA-N
XLogP4.20
TPSA88.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-adamantyl)-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]-1-phenylpyrazole-4-carboxamide
CID 19396150
3-(1-adamantyl)-1-phenyl-N-(4-phenylphenyl)pyrazole-4-carboxamide
CID 19473680
3-(1-adamantyl)-N-(2-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 5241852
3-(1-adamantyl)-N-[(2-methylpyrazol-3-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 19473709
3-(1-adamantyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenylpyrazole-4-carboxamide
CID 19473874
3-(1-adamantyl)-N-[2-(4-bromopyrazol-1-yl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 19282701
3-(1-adamantyl)-N-(1-benzyl-1,2,4-triazol-3-yl)-1-phenylpyrazole-4-carboxamide
CID 19473794
3-(1-adamantyl)-N-[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]-1-phenylpyrazole-4-carboxamide
CID 19473825
N-(4-cyano-1-phenylpyrazol-5-yl)-1,3-diphenylpyrazole-4-carboxamide
CID 19281419
3-(1-adamantyl)-N-[3-(3-methylpyrazol-1-yl)propyl]-1-phenylpyrazole-4-carboxamide
CID 19297920
3-[[3-(1-adamantyl)-1-phenylpyrazole-4-carbonyl]amino]-6-(difluoromethyl)-4-(1,5-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19473872
3-(1-adamantyl)-1-phenyl-N-(3-propan-2-yloxypropyl)pyrazole-4-carboxamide
CID 19473857

Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantyl)-N-(4-cyano-1-methylpyrazol-5-yl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(1-adamantyl)-N-(4-cyano-1-methylpyrazol-5-yl)-1-phenylpyrazole-4-carboxamide (CID 19473841) is 3-(1-adamantyl)-N-(4-cyano-1-methylpyrazol-5-yl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(1-adamantyl)-N-(4-cyano-1-methylpyrazol-5-yl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(1-adamantyl)-N-(4-cyano-1-methylpyrazol-5-yl)-1-phenylpyrazole-4-carboxamide is Cn1ncc(C#N)c1NC(=O)c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 3-(1-adamantyl)-N-(4-cyano-1-methylpyrazol-5-yl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is ZBZNUTRKFWKGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O/c1-30-23(19(13-26)14-27-30)28-24(32)21-15-31(20-5-3-2-4-6-20)29-22(21)25-10-16-7-17(11-25)9-18(8-16)12-25/h2-6,14-18H,7-12H2,1H3,(H,28,32).
What are the key properties of 3-(1-adamantyl)-N-(4-cyano-1-methylpyrazol-5-yl)-1-phenylpyrazole-4-carboxamide?
3-(1-adamantyl)-N-(4-cyano-1-methylpyrazol-5-yl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantyl)-N-(4-cyano-1-methylpyrazol-5-yl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 19473841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).