5-amino-N-[furan-2-yl-(2-methoxyphenyl)methyl]-1-propan-2-ylpyrazole-4-carboxamide

C19H22N4O3 — CID 139003051

IUPAC5-amino-N-[furan-2-yl-(2-methoxyphenyl)methyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCOc1ccccc1C(NC(=O)c1cnn(C(C)C)c1N)c1ccco1
InChIInChI=1S/C19H22N4O3/c1-12(2)23-18(20)14(11-21-23)19(24)22-17(16-9-6-10-26-16)13-7-4-5-8-15(13)25-3/h4-12,17H,20H2,1-3H3,(H,22,24)
InChIKeyCAVWJDQPHIZSMT-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.17
Rot. Bonds6

About 5-amino-N-[furan-2-yl-(2-methoxyphenyl)methyl]-1-propan-2-ylpyrazole-4-carboxamide

5-amino-N-[furan-2-yl-(2-methoxyphenyl)methyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 139003051) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 5-amino-N-[furan-2-yl-(2-methoxyphenyl)methyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[furan-2-yl-(2-methoxyphenyl)methyl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID139003051
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name5-amino-N-[furan-2-yl-(2-methoxyphenyl)methyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCOc1ccccc1C(NC(=O)c1cnn(C(C)C)c1N)c1ccco1
InChIInChI=1S/C19H22N4O3/c1-12(2)23-18(20)14(11-21-23)19(24)22-17(16-9-6-10-26-16)13-7-4-5-8-15(13)25-3/h4-12,17H,20H2,1-3H3,(H,22,24)
InChIKeyCAVWJDQPHIZSMT-UHFFFAOYSA-N
XLogP3.17
TPSA95.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[furan-2-yl-(2-methoxyphenyl)methyl]hydrazine
CID 105191034
5-ethyl-N-[furan-2-yl-(2-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 139007628
(2R,5R)-N-[(S)-furan-2-yl-(2-methoxyphenyl)methyl]-2,5-dimethylmorpholine-4-carboxamide
CID 124616684
(2S,5R)-N-[(S)-furan-2-yl-(2-methoxyphenyl)methyl]-2,5-dimethylmorpholine-4-carboxamide
CID 124616685
N-[furan-2-yl(phenyl)methyl]-2,5-dimethoxybenzamide
CID 51217853
(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propanoic acid
CID 743102
N-[1-(furan-2-yl)ethyl]-3-methoxynaphthalene-2-carboxamide
CID 18116872
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55491455
5-amino-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide
CID 14118804
(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propanamide
CID 904780
2-(furan-2-yl)-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 51932949
[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(2-methylphenyl)methyl]hydrazine
CID 105200451

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[furan-2-yl-(2-methoxyphenyl)methyl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-[furan-2-yl-(2-methoxyphenyl)methyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 139003051) is 5-amino-N-[furan-2-yl-(2-methoxyphenyl)methyl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[furan-2-yl-(2-methoxyphenyl)methyl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[furan-2-yl-(2-methoxyphenyl)methyl]-1-propan-2-ylpyrazole-4-carboxamide is COc1ccccc1C(NC(=O)c1cnn(C(C)C)c1N)c1ccco1.
What is the InChIKey of 5-amino-N-[furan-2-yl-(2-methoxyphenyl)methyl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is CAVWJDQPHIZSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-12(2)23-18(20)14(11-21-23)19(24)22-17(16-9-6-10-26-16)13-7-4-5-8-15(13)25-3/h4-12,17H,20H2,1-3H3,(H,22,24).
What are the key properties of 5-amino-N-[furan-2-yl-(2-methoxyphenyl)methyl]-1-propan-2-ylpyrazole-4-carboxamide?
5-amino-N-[furan-2-yl-(2-methoxyphenyl)methyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[furan-2-yl-(2-methoxyphenyl)methyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 139003051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).