1-[2-amino-1-(2-methoxyphenyl)butyl]pyrazole-4-carboxamide

C15H20N4O2 — CID 64781614

IUPAC1-[2-amino-1-(2-methoxyphenyl)butyl]pyrazole-4-carboxamide
SMILESCCC(N)C(c1ccccc1OC)n1cc(C(N)=O)cn1
InChIInChI=1S/C15H20N4O2/c1-3-12(16)14(11-6-4-5-7-13(11)21-2)19-9-10(8-18-19)15(17)20/h4-9,12,14H,3,16H2,1-2H3,(H2,17,20)
InChIKeyYNXKLLWWJHZFNL-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.32
Rot. Bonds6

About 1-[2-amino-1-(2-methoxyphenyl)butyl]pyrazole-4-carboxamide

1-[2-amino-1-(2-methoxyphenyl)butyl]pyrazole-4-carboxamide (PubChem CID 64781614) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[2-amino-1-(2-methoxyphenyl)butyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-amino-1-(2-methoxyphenyl)butyl]pyrazole-4-carboxamide
PubChem CID64781614
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-[2-amino-1-(2-methoxyphenyl)butyl]pyrazole-4-carboxamide
SMILESCCC(N)C(c1ccccc1OC)n1cc(C(N)=O)cn1
InChIInChI=1S/C15H20N4O2/c1-3-12(16)14(11-6-4-5-7-13(11)21-2)19-9-10(8-18-19)15(17)20/h4-9,12,14H,3,16H2,1-2H3,(H2,17,20)
InChIKeyYNXKLLWWJHZFNL-UHFFFAOYSA-N
XLogP1.32
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromopyrazol-1-yl)-1-(2-methoxyphenyl)butan-2-amine
CID 55021696
1-[2-amino-1-(4-methylphenyl)butyl]pyrazole-4-carboxamide
CID 64781044
1-[2-[(1R)-1-aminopropyl]phenyl]pyrazole-4-carboxamide
CID 103959164
1-[2-amino-1-(2-methylphenyl)ethyl]pyrazole-4-carboxamide
CID 64782741
methyl 3-(4-carbamoylpyrazol-1-yl)butanoate
CID 62828712
4-amino-3-(2-methoxyphenyl)hexanoic acid
CID 66097523
methyl 2-[2-amino-1-(2-methoxyphenyl)butyl]sulfanylacetate
CID 55021558
ethyl 1-[2-amino-1-(4-bromothiophen-2-yl)butyl]pyrazole-4-carboxylate
CID 81496774
2-[amino-(2-methoxyphenyl)methyl]butanoic acid
CID 116945129
(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779
(1R,2S)-1-amino-1-(2-methoxyphenyl)butan-2-ol
CID 96622527
3-(2-methoxyphenyl)pentanediamide
CID 20546356

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(2-methoxyphenyl)butyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[2-amino-1-(2-methoxyphenyl)butyl]pyrazole-4-carboxamide (CID 64781614) is 1-[2-amino-1-(2-methoxyphenyl)butyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[2-amino-1-(2-methoxyphenyl)butyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[2-amino-1-(2-methoxyphenyl)butyl]pyrazole-4-carboxamide is CCC(N)C(c1ccccc1OC)n1cc(C(N)=O)cn1.
What is the InChIKey of 1-[2-amino-1-(2-methoxyphenyl)butyl]pyrazole-4-carboxamide?
The InChIKey is YNXKLLWWJHZFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-12(16)14(11-6-4-5-7-13(11)21-2)19-9-10(8-18-19)15(17)20/h4-9,12,14H,3,16H2,1-2H3,(H2,17,20).
What are the key properties of 1-[2-amino-1-(2-methoxyphenyl)butyl]pyrazole-4-carboxamide?
1-[2-amino-1-(2-methoxyphenyl)butyl]pyrazole-4-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(2-methoxyphenyl)butyl]pyrazole-4-carboxamide is sourced from PubChem (CID 64781614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).