3-(1-adamantyl)-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]-1-phenylpyrazole-4-carboxamide

C28H34N6O2 — CID 19396150

IUPAC3-(1-adamantyl)-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]-1-phenylpyrazole-4-carboxamide
SMILESCCCNC(=O)c1c(NC(=O)c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)cnn1C
InChIInChI=1S/C28H34N6O2/c1-3-9-29-27(36)24-23(16-30-33(24)2)31-26(35)22-17-34(21-7-5-4-6-8-21)32-25(22)28-13-18-10-19(14-28)12-20(11-18)15-28/h4-8,16-20H,3,9-15H2,1-2H3,(H,29,36)(H,31,35)
InChIKeyQWZOEMGGQMTJEY-UHFFFAOYSA-N
MW486.62 g/mol
LogP4.47
Rot. Bonds7

About 3-(1-adamantyl)-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]-1-phenylpyrazole-4-carboxamide

3-(1-adamantyl)-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]-1-phenylpyrazole-4-carboxamide (PubChem CID 19396150) has the molecular formula C28H34N6O2 and a molecular weight of 486.62 g/mol. Its IUPAC name is 3-(1-adamantyl)-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(1-adamantyl)-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]-1-phenylpyrazole-4-carboxamide
PubChem CID19396150
Molecular FormulaC28H34N6O2
Molecular Weight486.62 g/mol
Exact Mass486.27
IUPAC Name3-(1-adamantyl)-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]-1-phenylpyrazole-4-carboxamide
SMILESCCCNC(=O)c1c(NC(=O)c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)cnn1C
InChIInChI=1S/C28H34N6O2/c1-3-9-29-27(36)24-23(16-30-33(24)2)31-26(35)22-17-34(21-7-5-4-6-8-21)32-25(22)28-13-18-10-19(14-28)12-20(11-18)15-28/h4-8,16-20H,3,9-15H2,1-2H3,(H,29,36)(H,31,35)
InChIKeyQWZOEMGGQMTJEY-UHFFFAOYSA-N
XLogP4.47
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-adamantyl)-N-(4-cyano-1-methylpyrazol-5-yl)-1-phenylpyrazole-4-carboxamide
CID 19473841
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-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]-1-phenylpyrazole-4-carboxamide
CID 19473825
3-(1-adamantyl)-1-phenyl-N-(3-propan-2-yloxypropyl)pyrazole-4-carboxamide
CID 19473857
3-(1-adamantyl)-N-[3-(3-methylpyrazol-1-yl)propyl]-1-phenylpyrazole-4-carboxamide
CID 19297920
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
1-methyl-4-[(2-methylbenzoyl)amino]-N-propylpyrazole-5-carboxamide
CID 4865439
3-(1-adamantyl)-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-1-phenylpyrazole-4-carboxamide
CID 19473781
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

Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantyl)-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(1-adamantyl)-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]-1-phenylpyrazole-4-carboxamide (CID 19396150) is 3-(1-adamantyl)-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(1-adamantyl)-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(1-adamantyl)-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]-1-phenylpyrazole-4-carboxamide is CCCNC(=O)c1c(NC(=O)c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)cnn1C.
What is the InChIKey of 3-(1-adamantyl)-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is QWZOEMGGQMTJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O2/c1-3-9-29-27(36)24-23(16-30-33(24)2)31-26(35)22-17-34(21-7-5-4-6-8-21)32-25(22)28-13-18-10-19(14-28)12-20(11-18)15-28/h4-8,16-20H,3,9-15H2,1-2H3,(H,29,36)(H,31,35).
What are the key properties of 3-(1-adamantyl)-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]-1-phenylpyrazole-4-carboxamide?
3-(1-adamantyl)-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 486.62 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantyl)-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 19396150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).