3,5-dimethyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-1-carboxamide

C24H28N6O3 — CID 135305868

IUPAC3,5-dimethyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-1-carboxamide
SMILESCc1cc(-c2ccc(C(=O)[C@@H]3CCCC[C@H]3C(=O)Nc3c(C)nn(C(N)=O)c3C)cc2)n[nH]1
InChIInChI=1S/C24H28N6O3/c1-13-12-20(28-27-13)16-8-10-17(11-9-16)22(31)18-6-4-5-7-19(18)23(32)26-21-14(2)29-30(15(21)3)24(25)33/h8-12,18-19H,4-7H2,1-3H3,(H2,25,33)(H,26,32)(H,27,28)/t18-,19-/m1/s1
InChIKeyGFHMMYHTMMFILX-RTBURBONSA-N
MW448.53 g/mol
LogP3.75
Rot. Bonds5

About 3,5-dimethyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-1-carboxamide

3,5-dimethyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-1-carboxamide (PubChem CID 135305868) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is 3,5-dimethyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-1-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-1-carboxamide
PubChem CID135305868
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC Name3,5-dimethyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-1-carboxamide
SMILESCc1cc(-c2ccc(C(=O)[C@@H]3CCCC[C@H]3C(=O)Nc3c(C)nn(C(N)=O)c3C)cc2)n[nH]1
InChIInChI=1S/C24H28N6O3/c1-13-12-20(28-27-13)16-8-10-17(11-9-16)22(31)18-6-4-5-7-19(18)23(32)26-21-14(2)29-30(15(21)3)24(25)33/h8-12,18-19H,4-7H2,1-3H3,(H2,25,33)(H,26,32)(H,27,28)/t18-,19-/m1/s1
InChIKeyGFHMMYHTMMFILX-RTBURBONSA-N
XLogP3.75
TPSA135.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

trans-(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide
CID 122678180
trans-(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]-N-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl)cyclohexane-1-carboxamide
CID 122678117
4-[[(1R,2R)-2-[2-fluoro-4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]-1-methylpyrazole-3-carboxamide
CID 155516065
trans-(1R,2R)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[4-(1H-pyrazol-5-yl)benzoyl]cyclohexane-1-carboxamide
CID 155535638
trans-(1R,2R)-N-(1,3-dimethylpyrazol-4-yl)-2-(4-pyridin-2-ylbenzoyl)cyclohexane-1-carboxamide
CID 155552934
1-methyl-4-[[2-[4-(1H-pyrazol-5-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-3-carboxamide
CID 122678096
methyl 4-(5-methyl-1H-pyrazol-3-yl)benzoate
CID 21023715
1,2-dimethyl-4-[[(1R,2R)-2-[4-(1H-pyrazol-5-yl)benzoyl]cyclohexanecarbonyl]amino]-3H-pyrazole-3-carboxamide
CID 135305930
4-[[(6R)-6-[2-chloro-4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohex-3-ene-1-carbonyl]amino]-1-methylpyrazole-5-carboxamide
CID 145182692
(2S)-N-(5-cyano-1-methylpyrazol-4-yl)-2-[4-(1H-pyrazol-5-yl)benzoyl]cyclohexane-1-carboxamide
CID 122678152
trans-(1S,2S)-N-(5-methoxy-1-methylpyrazol-4-yl)-2-[4-(1H-pyrazol-5-yl)benzoyl]cyclohexane-1-carboxamide
CID 135305965
N-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622450

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-1-carboxamide?
The IUPAC name of 3,5-dimethyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-1-carboxamide (CID 135305868) is 3,5-dimethyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-1-carboxamide.
What is the SMILES notation for 3,5-dimethyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-1-carboxamide?
The canonical SMILES for 3,5-dimethyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-1-carboxamide is Cc1cc(-c2ccc(C(=O)[C@@H]3CCCC[C@H]3C(=O)Nc3c(C)nn(C(N)=O)c3C)cc2)n[nH]1.
What is the InChIKey of 3,5-dimethyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-1-carboxamide?
The InChIKey is GFHMMYHTMMFILX-RTBURBONSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-13-12-20(28-27-13)16-8-10-17(11-9-16)22(31)18-6-4-5-7-19(18)23(32)26-21-14(2)29-30(15(21)3)24(25)33/h8-12,18-19H,4-7H2,1-3H3,(H2,25,33)(H,26,32)(H,27,28)/t18-,19-/m1/s1.
What are the key properties of 3,5-dimethyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-1-carboxamide?
3,5-dimethyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-1-carboxamide has a molecular weight of 448.53 g/mol, XLogP of 3.75, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-1-carboxamide is sourced from PubChem (CID 135305868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).