N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide

C26H30N4O3 — CID 1205217

IUPACN-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(N(C(=O)c2ccn[nH]2)C2(C(=O)Nc3c(C)cccc3C)CCCCC2)c1
InChIInChI=1S/C26H30N4O3/c1-18-9-7-10-19(2)23(18)28-25(32)26(14-5-4-6-15-26)30(24(31)22-13-16-27-29-22)20-11-8-12-21(17-20)33-3/h7-13,16-17H,4-6,14-15H2,1-3H3,(H,27,29)(H,28,32)
InChIKeyRVVNVPIBGYMNNV-UHFFFAOYSA-N
MW446.55 g/mol
LogP5.02
Rot. Bonds6

About N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide

N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 1205217) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID1205217
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC NameN-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(N(C(=O)c2ccn[nH]2)C2(C(=O)Nc3c(C)cccc3C)CCCCC2)c1
InChIInChI=1S/C26H30N4O3/c1-18-9-7-10-19(2)23(18)28-25(32)26(14-5-4-6-15-26)30(24(31)22-13-16-27-29-22)20-11-8-12-21(17-20)33-3/h7-13,16-17H,4-6,14-15H2,1-3H3,(H,27,29)(H,28,32)
InChIKeyRVVNVPIBGYMNNV-UHFFFAOYSA-N
XLogP5.02
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide (CID 1205217) is N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide is COc1cccc(N(C(=O)c2ccn[nH]2)C2(C(=O)Nc3c(C)cccc3C)CCCCC2)c1.
What is the InChIKey of N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is RVVNVPIBGYMNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-18-9-7-10-19(2)23(18)28-25(32)26(14-5-4-6-15-26)30(24(31)22-13-16-27-29-22)20-11-8-12-21(17-20)33-3/h7-13,16-17H,4-6,14-15H2,1-3H3,(H,27,29)(H,28,32).
What are the key properties of N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 5.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 1205217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).