4-(1-benzofuran-2-carbonylamino)-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide

C20H22N4O4 — CID 118714274

IUPAC4-(1-benzofuran-2-carbonylamino)-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
SMILESCOC1CCC(NC(=O)c2[nH]ncc2NC(=O)c2cc3ccccc3o2)CC1
InChIInChI=1S/C20H22N4O4/c1-27-14-8-6-13(7-9-14)22-20(26)18-15(11-21-24-18)23-19(25)17-10-12-4-2-3-5-16(12)28-17/h2-5,10-11,13-14H,6-9H2,1H3,(H,21,24)(H,22,26)(H,23,25)
InChIKeyMPPIFPJGAIUWJF-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.10
Rot. Bonds5

About 4-(1-benzofuran-2-carbonylamino)-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide

4-(1-benzofuran-2-carbonylamino)-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide (PubChem CID 118714274) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 4-(1-benzofuran-2-carbonylamino)-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(1-benzofuran-2-carbonylamino)-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
PubChem CID118714274
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name4-(1-benzofuran-2-carbonylamino)-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
SMILESCOC1CCC(NC(=O)c2[nH]ncc2NC(=O)c2cc3ccccc3o2)CC1
InChIInChI=1S/C20H22N4O4/c1-27-14-8-6-13(7-9-14)22-20(26)18-15(11-21-24-18)23-19(25)17-10-12-4-2-3-5-16(12)28-17/h2-5,10-11,13-14H,6-9H2,1H3,(H,21,24)(H,22,26)(H,23,25)
InChIKeyMPPIFPJGAIUWJF-UHFFFAOYSA-N
XLogP3.10
TPSA109.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.10
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-[(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
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
N-(4-methoxycyclohexyl)-4-[(5-phenylfuran-2-carbonyl)amino]-1H-pyrazole-5-carboxamide
CID 118714278
ethyl 3-[(8-methyl-4,5-dihydro-1H-furo[2,3-g]indazole-7-carbonyl)amino]benzoate
CID 16016802
N,3-dimethyl-5-propyl-N-(1H-pyrazol-5-ylmethyl)-1-benzofuran-2-carboxamide
CID 24791262
N-[(2S)-1-amino-1-oxopropan-2-yl]-6-[[5-(4-methoxyphenyl)furan-2-carbonyl]amino]-1H-indazole-3-carboxamide
CID 127038570

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-carbonylamino)-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-(1-benzofuran-2-carbonylamino)-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide (CID 118714274) is 4-(1-benzofuran-2-carbonylamino)-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-(1-benzofuran-2-carbonylamino)-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-(1-benzofuran-2-carbonylamino)-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide is COC1CCC(NC(=O)c2[nH]ncc2NC(=O)c2cc3ccccc3o2)CC1.
What is the InChIKey of 4-(1-benzofuran-2-carbonylamino)-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide?
The InChIKey is MPPIFPJGAIUWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-27-14-8-6-13(7-9-14)22-20(26)18-15(11-21-24-18)23-19(25)17-10-12-4-2-3-5-16(12)28-17/h2-5,10-11,13-14H,6-9H2,1H3,(H,21,24)(H,22,26)(H,23,25).
What are the key properties of 4-(1-benzofuran-2-carbonylamino)-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide?
4-(1-benzofuran-2-carbonylamino)-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 3.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-carbonylamino)-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 118714274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).