N-(4-methoxycyclohexyl)-4-[(5-phenylfuran-2-carbonyl)amino]-1H-pyrazole-5-carboxamide

C22H24N4O4 — CID 118714278

IUPACN-(4-methoxycyclohexyl)-4-[(5-phenylfuran-2-carbonyl)amino]-1H-pyrazole-5-carboxamide
SMILESCOC1CCC(NC(=O)c2[nH]ncc2NC(=O)c2ccc(-c3ccccc3)o2)CC1
InChIInChI=1S/C22H24N4O4/c1-29-16-9-7-15(8-10-16)24-22(28)20-17(13-23-26-20)25-21(27)19-12-11-18(30-19)14-5-3-2-4-6-14/h2-6,11-13,15-16H,7-10H2,1H3,(H,23,26)(H,24,28)(H,25,27)
InChIKeyFHLJVZAGXXPSEH-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.61
Rot. Bonds6

About N-(4-methoxycyclohexyl)-4-[(5-phenylfuran-2-carbonyl)amino]-1H-pyrazole-5-carboxamide

N-(4-methoxycyclohexyl)-4-[(5-phenylfuran-2-carbonyl)amino]-1H-pyrazole-5-carboxamide (PubChem CID 118714278) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-(4-methoxycyclohexyl)-4-[(5-phenylfuran-2-carbonyl)amino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methoxycyclohexyl)-4-[(5-phenylfuran-2-carbonyl)amino]-1H-pyrazole-5-carboxamide
PubChem CID118714278
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC NameN-(4-methoxycyclohexyl)-4-[(5-phenylfuran-2-carbonyl)amino]-1H-pyrazole-5-carboxamide
SMILESCOC1CCC(NC(=O)c2[nH]ncc2NC(=O)c2ccc(-c3ccccc3)o2)CC1
InChIInChI=1S/C22H24N4O4/c1-29-16-9-7-15(8-10-16)24-22(28)20-17(13-23-26-20)25-21(27)19-12-11-18(30-19)14-5-3-2-4-6-14/h2-6,11-13,15-16H,7-10H2,1H3,(H,23,26)(H,24,28)(H,25,27)
InChIKeyFHLJVZAGXXPSEH-UHFFFAOYSA-N
XLogP3.61
TPSA109.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Furan-2-carboxamide deriv., 7
CID 44236894
Furan-2-carboxamide deriv., 8
CID 44236895
Furan-2-carboxamide deriv., 9
CID 44236896
N-(4-ethylphenyl)-8-methyl-4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxamide
CID 16016804
N-[(2-ethoxyphenyl)methyl]-8-methyl-4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxamide
CID 16016814
(R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoethylcarbamoyl)furan-2-yl)benzyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 46934733
(R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoethylcarbamoyl)furan-2-yl)benzyl)-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 49865325
(R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoethylcarbamoyl)furan-2-yl)benzyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 49865326
N-[2-(tert-butylamino)-2-oxo-1-(1H-pyrazol-5-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
CID 53297485
N-(4-methoxycyclohexyl)-4-[[2-(2-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxamide
CID 118714253
4-[(2-methoxybenzoyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
CID 118714259
4-[[4-(difluoromethoxy)benzoyl]amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
CID 118714271

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxycyclohexyl)-4-[(5-phenylfuran-2-carbonyl)amino]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-methoxycyclohexyl)-4-[(5-phenylfuran-2-carbonyl)amino]-1H-pyrazole-5-carboxamide (CID 118714278) is N-(4-methoxycyclohexyl)-4-[(5-phenylfuran-2-carbonyl)amino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-methoxycyclohexyl)-4-[(5-phenylfuran-2-carbonyl)amino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-methoxycyclohexyl)-4-[(5-phenylfuran-2-carbonyl)amino]-1H-pyrazole-5-carboxamide is COC1CCC(NC(=O)c2[nH]ncc2NC(=O)c2ccc(-c3ccccc3)o2)CC1.
What is the InChIKey of N-(4-methoxycyclohexyl)-4-[(5-phenylfuran-2-carbonyl)amino]-1H-pyrazole-5-carboxamide?
The InChIKey is FHLJVZAGXXPSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-29-16-9-7-15(8-10-16)24-22(28)20-17(13-23-26-20)25-21(27)19-12-11-18(30-19)14-5-3-2-4-6-14/h2-6,11-13,15-16H,7-10H2,1H3,(H,23,26)(H,24,28)(H,25,27).
What are the key properties of N-(4-methoxycyclohexyl)-4-[(5-phenylfuran-2-carbonyl)amino]-1H-pyrazole-5-carboxamide?
N-(4-methoxycyclohexyl)-4-[(5-phenylfuran-2-carbonyl)amino]-1H-pyrazole-5-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 3.61, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxycyclohexyl)-4-[(5-phenylfuran-2-carbonyl)amino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 118714278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).