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

C24H28N4O3 — CID 1273875

IUPACN-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1(N(Cc2ccco2)C(=O)c2ccn[nH]2)CCCCC1
InChIInChI=1S/C24H28N4O3/c1-17-8-6-9-18(2)21(17)26-23(30)24(12-4-3-5-13-24)28(16-19-10-7-15-31-19)22(29)20-11-14-25-27-20/h6-11,14-15H,3-5,12-13,16H2,1-2H3,(H,25,27)(H,26,30)
InChIKeyUERBWIQXOIOXOH-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.60
Rot. Bonds6

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

N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide (PubChem CID 1273875) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
PubChem CID1273875
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1(N(Cc2ccco2)C(=O)c2ccn[nH]2)CCCCC1
InChIInChI=1S/C24H28N4O3/c1-17-8-6-9-18(2)21(17)26-23(30)24(12-4-3-5-13-24)28(16-19-10-7-15-31-19)22(29)20-11-14-25-27-20/h6-11,14-15H,3-5,12-13,16H2,1-2H3,(H,25,27)(H,26,30)
InChIKeyUERBWIQXOIOXOH-UHFFFAOYSA-N
XLogP4.60
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 6620408
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CID 16022634
CID 16022634
CID 16022770
CID 16022770
CID 16191279
CID 16191279
CID 16191908
CID 16191908
CID 44421868
CID 44421868
CID 46934733
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CID 53297485
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CID 118714278
CID 118714278

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide (CID 1273875) is N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide is Cc1cccc(C)c1NC(=O)C1(N(Cc2ccco2)C(=O)c2ccn[nH]2)CCCCC1.
What is the InChIKey of N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is UERBWIQXOIOXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-17-8-6-9-18(2)21(17)26-23(30)24(12-4-3-5-13-24)28(16-19-10-7-15-31-19)22(29)20-11-14-25-27-20/h6-11,14-15H,3-5,12-13,16H2,1-2H3,(H,25,27)(H,26,30).
What are the key properties of N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide?
N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 4.60, 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-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 1273875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).