N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide

C20H20N4O3 — CID 78883602

IUPACN-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CC1)c1ccc(CN(Cc2ccco2)C(=O)c2ccn[nH]2)cc1
InChIInChI=1S/C20H20N4O3/c25-19(22-16-7-8-16)15-5-3-14(4-6-15)12-24(13-17-2-1-11-27-17)20(26)18-9-10-21-23-18/h1-6,9-11,16H,7-8,12-13H2,(H,21,23)(H,22,25)
InChIKeyIUAAVZJOWBUZNH-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.74
Rot. Bonds7

About N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide

N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide (PubChem CID 78883602) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
PubChem CID78883602
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CC1)c1ccc(CN(Cc2ccco2)C(=O)c2ccn[nH]2)cc1
InChIInChI=1S/C20H20N4O3/c25-19(22-16-7-8-16)15-5-3-14(4-6-15)12-24(13-17-2-1-11-27-17)20(26)18-9-10-21-23-18/h1-6,9-11,16H,7-8,12-13H2,(H,21,23)(H,22,25)
InChIKeyIUAAVZJOWBUZNH-UHFFFAOYSA-N
XLogP2.74
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-(furan-2-ylmethyl)-1-methylpyrazole-4-carboxamide
CID 78847716
4-[[(2-amino-2-oxoethyl)-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34943139
N-cyclopropyl-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 112814162
N-cyclopropyl-4-[[[2-(3,4-dichlorophenoxy)acetyl]-(furan-2-ylmethyl)amino]methyl]benzamide
CID 112818770
N-cyclopropyl-4-[[furan-2-ylmethyl-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]amino]methyl]benzamide
CID 112814163
N-cyclopropyl-4-[[furan-2-ylmethyl-[(4-nitrophenyl)methyl]amino]methyl]benzamide
CID 33216162
4-[[(2-bromophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34215979
N-cyclopropyl-4-[[(2-fluorophenyl)methyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 30891357
4-[[[(E)-3-(1-benzofuran-2-yl)prop-2-enoyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 78852178
N-cyclopropyl-4-[[furan-2-ylmethyl-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl]amino]methyl]benzamide
CID 78852171
N-cyclopropyl-4-[[(2-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 39984976
N-cyclopropyl-4-[[furan-2-ylmethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]benzamide
CID 34944156

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide (CID 78883602) is N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide is O=C(NC1CC1)c1ccc(CN(Cc2ccco2)C(=O)c2ccn[nH]2)cc1.
What is the InChIKey of N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is IUAAVZJOWBUZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c25-19(22-16-7-8-16)15-5-3-14(4-6-15)12-24(13-17-2-1-11-27-17)20(26)18-9-10-21-23-18/h1-6,9-11,16H,7-8,12-13H2,(H,21,23)(H,22,25).
What are the key properties of N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide?
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 78883602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).