N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide

C21H24N4O3 — CID 19414149

IUPACN-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
SMILESCOc1cccc(Cn2cc(NC(=O)c3ccc(CN4CCCC4)o3)cn2)c1
InChIInChI=1S/C21H24N4O3/c1-27-18-6-4-5-16(11-18)13-25-14-17(12-22-25)23-21(26)20-8-7-19(28-20)15-24-9-2-3-10-24/h4-8,11-12,14H,2-3,9-10,13,15H2,1H3,(H,23,26)
InChIKeyQUZRSSOHUBVLFB-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.38
Rot. Bonds7

About N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide

N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide (PubChem CID 19414149) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
PubChem CID19414149
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
SMILESCOc1cccc(Cn2cc(NC(=O)c3ccc(CN4CCCC4)o3)cn2)c1
InChIInChI=1S/C21H24N4O3/c1-27-18-6-4-5-16(11-18)13-25-14-17(12-22-25)23-21(26)20-8-7-19(28-20)15-24-9-2-3-10-24/h4-8,11-12,14H,2-3,9-10,13,15H2,1H3,(H,23,26)
InChIKeyQUZRSSOHUBVLFB-UHFFFAOYSA-N
XLogP3.38
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19410192
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
CID 19410195
5-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19410122
N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414095
5-[(2,4-difluorophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19453236
N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414245
2-[[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]benzoic acid
CID 35521452
2-bromo-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide
CID 19410114
N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414278
2-(4-methoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]acetamide
CID 35521443
2-methoxy-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide
CID 19410106
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414163

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide (CID 19414149) is N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide is COc1cccc(Cn2cc(NC(=O)c3ccc(CN4CCCC4)o3)cn2)c1.
What is the InChIKey of N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The InChIKey is QUZRSSOHUBVLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-27-18-6-4-5-16(11-18)13-25-14-17(12-22-25)23-21(26)20-8-7-19(28-20)15-24-9-2-3-10-24/h4-8,11-12,14H,2-3,9-10,13,15H2,1H3,(H,23,26).
What are the key properties of N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 19414149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).