N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-(furan-2-ylmethyl)-1-methylpyrazole-4-carboxamide

C21H22N4O3 — CID 78847716

IUPACN-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-(furan-2-ylmethyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)Cc2ccco2)cn1
InChIInChI=1S/C21H22N4O3/c1-24-13-17(11-22-24)21(27)25(14-19-3-2-10-28-19)12-15-4-6-16(7-5-15)20(26)23-18-8-9-18/h2-7,10-11,13,18H,8-9,12,14H2,1H3,(H,23,26)
InChIKeyPHTZZNXPPXATNL-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.75
Rot. Bonds7

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

N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-(furan-2-ylmethyl)-1-methylpyrazole-4-carboxamide (PubChem CID 78847716) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-(furan-2-ylmethyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-(furan-2-ylmethyl)-1-methylpyrazole-4-carboxamide
PubChem CID78847716
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-(furan-2-ylmethyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)Cc2ccco2)cn1
InChIInChI=1S/C21H22N4O3/c1-24-13-17(11-22-24)21(27)25(14-19-3-2-10-28-19)12-15-4-6-16(7-5-15)20(26)23-18-8-9-18/h2-7,10-11,13,18H,8-9,12,14H2,1H3,(H,23,26)
InChIKeyPHTZZNXPPXATNL-UHFFFAOYSA-N
XLogP2.75
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 78883602
N-cyclopropyl-4-[[furan-2-ylmethyl-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]amino]methyl]benzamide
CID 112814163
N-cyclopropyl-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 112814162
4-[[(2-amino-2-oxoethyl)-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34943139
N-cyclopropyl-4-[[[2-(3,4-dichlorophenoxy)acetyl]-(furan-2-ylmethyl)amino]methyl]benzamide
CID 112818770
N-cyclopropyl-4-[[furan-2-ylmethyl-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl]amino]methyl]benzamide
CID 78852171
N-cyclopropyl-4-[[furan-2-ylmethyl-[(4-nitrophenyl)methyl]amino]methyl]benzamide
CID 33216162
N-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]methyl]benzamide
CID 30798285
N-cyclopropyl-4-[[(2-fluorophenyl)methyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 30891357
4-[[(2-bromophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34215979
N-cyclopropyl-4-[[(1-cyclopropyltetrazol-5-yl)methyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 55994501
4-[[[(E)-3-(1-benzofuran-2-yl)prop-2-enoyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 78852178

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-(furan-2-ylmethyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-(furan-2-ylmethyl)-1-methylpyrazole-4-carboxamide (CID 78847716) is N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-(furan-2-ylmethyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-(furan-2-ylmethyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-(furan-2-ylmethyl)-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)Cc2ccco2)cn1.
What is the InChIKey of N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-(furan-2-ylmethyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is PHTZZNXPPXATNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-24-13-17(11-22-24)21(27)25(14-19-3-2-10-28-19)12-15-4-6-16(7-5-15)20(26)23-18-8-9-18/h2-7,10-11,13,18H,8-9,12,14H2,1H3,(H,23,26).
What are the key properties of N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-(furan-2-ylmethyl)-1-methylpyrazole-4-carboxamide?
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-(furan-2-ylmethyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-(furan-2-ylmethyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 78847716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).