N-[5-[(2-cyclohexylpyrazol-3-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide

C22H24N4O3 — CID 78772109

IUPACN-[5-[(2-cyclohexylpyrazol-3-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccnn2C2CCCCC2)cc1NC(=O)c1ccco1
InChIInChI=1S/C22H24N4O3/c1-15-9-10-16(14-18(15)24-22(28)19-8-5-13-29-19)21(27)25-20-11-12-23-26(20)17-6-3-2-4-7-17/h5,8-14,17H,2-4,6-7H2,1H3,(H,24,28)(H,25,27)
InChIKeyWDSZLRSNINKEQR-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.79
Rot. Bonds5

About N-[5-[(2-cyclohexylpyrazol-3-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide

N-[5-[(2-cyclohexylpyrazol-3-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide (PubChem CID 78772109) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[5-[(2-cyclohexylpyrazol-3-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(2-cyclohexylpyrazol-3-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
PubChem CID78772109
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-[5-[(2-cyclohexylpyrazol-3-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccnn2C2CCCCC2)cc1NC(=O)c1ccco1
InChIInChI=1S/C22H24N4O3/c1-15-9-10-16(14-18(15)24-22(28)19-8-5-13-29-19)21(27)25-20-11-12-23-26(20)17-6-3-2-4-7-17/h5,8-14,17H,2-4,6-7H2,1H3,(H,24,28)(H,25,27)
InChIKeyWDSZLRSNINKEQR-UHFFFAOYSA-N
XLogP4.79
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyclohexylpyrazol-3-yl)-3-fluoro-4-methylbenzamide
CID 51231002
N-(2-cyclohexylpyrazol-3-yl)-3-methylbenzamide
CID 51145870
N-[5-[[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 41409796
N-[2-methyl-5-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 6459657
N-(2-cyclohexylpyrazol-3-yl)-3,4-difluorobenzamide
CID 51192351
N-[5-[(4-aminocyclohexyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 119474347
N-[2-methyl-5-[(6-pyrrolidin-1-yl-3-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide
CID 30266978
N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide
CID 51145829
N-(2-cyclopentylpyrazol-3-yl)-2-methylbenzamide
CID 78793945
[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 7448655
N-(2-cyclopentylpyrazol-3-yl)-3-methylsulfonylbenzamide
CID 8890675
methyl 1-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]amino]cyclohexane-1-carboxylate
CID 30373031

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-cyclohexylpyrazol-3-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of N-[5-[(2-cyclohexylpyrazol-3-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide (CID 78772109) is N-[5-[(2-cyclohexylpyrazol-3-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[(2-cyclohexylpyrazol-3-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-[(2-cyclohexylpyrazol-3-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide is Cc1ccc(C(=O)Nc2ccnn2C2CCCCC2)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[5-[(2-cyclohexylpyrazol-3-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide?
The InChIKey is WDSZLRSNINKEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15-9-10-16(14-18(15)24-22(28)19-8-5-13-29-19)21(27)25-20-11-12-23-26(20)17-6-3-2-4-7-17/h5,8-14,17H,2-4,6-7H2,1H3,(H,24,28)(H,25,27).
What are the key properties of N-[5-[(2-cyclohexylpyrazol-3-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide?
N-[5-[(2-cyclohexylpyrazol-3-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-cyclohexylpyrazol-3-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 78772109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).