3-(1-adamantyl)-N-[3-(3-methylpyrazol-1-yl)propyl]-1-phenylpyrazole-4-carboxamide

C27H33N5O — CID 19297920

IUPAC3-(1-adamantyl)-N-[3-(3-methylpyrazol-1-yl)propyl]-1-phenylpyrazole-4-carboxamide
SMILESCc1ccn(CCCNC(=O)c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C27H33N5O/c1-19-8-11-31(29-19)10-5-9-28-26(33)24-18-32(23-6-3-2-4-7-23)30-25(24)27-15-20-12-21(16-27)14-22(13-20)17-27/h2-4,6-8,11,18,20-22H,5,9-10,12-17H2,1H3,(H,28,33)
InChIKeyZWCNJBJHHRMBGF-UHFFFAOYSA-N
MW443.60 g/mol
LogP4.67
Rot. Bonds7

About 3-(1-adamantyl)-N-[3-(3-methylpyrazol-1-yl)propyl]-1-phenylpyrazole-4-carboxamide

3-(1-adamantyl)-N-[3-(3-methylpyrazol-1-yl)propyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 19297920) has the molecular formula C27H33N5O and a molecular weight of 443.60 g/mol. Its IUPAC name is 3-(1-adamantyl)-N-[3-(3-methylpyrazol-1-yl)propyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(1-adamantyl)-N-[3-(3-methylpyrazol-1-yl)propyl]-1-phenylpyrazole-4-carboxamide
PubChem CID19297920
Molecular FormulaC27H33N5O
Molecular Weight443.60 g/mol
Exact Mass443.27
IUPAC Name3-(1-adamantyl)-N-[3-(3-methylpyrazol-1-yl)propyl]-1-phenylpyrazole-4-carboxamide
SMILESCc1ccn(CCCNC(=O)c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C27H33N5O/c1-19-8-11-31(29-19)10-5-9-28-26(33)24-18-32(23-6-3-2-4-7-23)30-25(24)27-15-20-12-21(16-27)14-22(13-20)17-27/h2-4,6-8,11,18,20-22H,5,9-10,12-17H2,1H3,(H,28,33)
InChIKeyZWCNJBJHHRMBGF-UHFFFAOYSA-N
XLogP4.67
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.60
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(1-adamantyl)-N-[3-(3-methylpyrazol-1-yl)propyl]-1-phenylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-adamantyl)-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-1-phenylpyrazole-4-carboxamide
CID 19473781
3-(1-adamantyl)-1-phenyl-N-(3-propan-2-yloxypropyl)pyrazole-4-carboxamide
CID 19473857
3-(1-adamantyl)-N-[2-(4-bromopyrazol-1-yl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 19282701
3-(1-adamantyl)-N-[(2-methylpyrazol-3-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 19473709
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-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 19473710
3-(1-adamantyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenylpyrazole-4-carboxamide
CID 19473874
ethyl (2R)-2-[[3-(1-adamantyl)-1-phenylpyrazole-4-carbonyl]amino]-3-sulfanylpropanoate
CID 19473673
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
3-(1-adamantyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-phenylpyrazole-4-carboxamide
CID 19477794

Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantyl)-N-[3-(3-methylpyrazol-1-yl)propyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(1-adamantyl)-N-[3-(3-methylpyrazol-1-yl)propyl]-1-phenylpyrazole-4-carboxamide (CID 19297920) is 3-(1-adamantyl)-N-[3-(3-methylpyrazol-1-yl)propyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(1-adamantyl)-N-[3-(3-methylpyrazol-1-yl)propyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(1-adamantyl)-N-[3-(3-methylpyrazol-1-yl)propyl]-1-phenylpyrazole-4-carboxamide is Cc1ccn(CCCNC(=O)c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)n1.
What is the InChIKey of 3-(1-adamantyl)-N-[3-(3-methylpyrazol-1-yl)propyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is ZWCNJBJHHRMBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O/c1-19-8-11-31(29-19)10-5-9-28-26(33)24-18-32(23-6-3-2-4-7-23)30-25(24)27-15-20-12-21(16-27)14-22(13-20)17-27/h2-4,6-8,11,18,20-22H,5,9-10,12-17H2,1H3,(H,28,33).
What are the key properties of 3-(1-adamantyl)-N-[3-(3-methylpyrazol-1-yl)propyl]-1-phenylpyrazole-4-carboxamide?
3-(1-adamantyl)-N-[3-(3-methylpyrazol-1-yl)propyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 443.60 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantyl)-N-[3-(3-methylpyrazol-1-yl)propyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 19297920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).