2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylpentanamide

C17H24N4O2 — CID 119747670

IUPAC2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NCc1ccn(-c2ccc(OC)cc2)n1
InChIInChI=1S/C17H24N4O2/c1-4-12(2)16(18)17(22)19-11-13-9-10-21(20-13)14-5-7-15(23-3)8-6-14/h5-10,12,16H,4,11,18H2,1-3H3,(H,19,22)
InChIKeyAZVMWNOZQACVBF-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.87
Rot. Bonds7

About 2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylpentanamide

2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylpentanamide (PubChem CID 119747670) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylpentanamide
PubChem CID119747670
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NCc1ccn(-c2ccc(OC)cc2)n1
InChIInChI=1S/C17H24N4O2/c1-4-12(2)16(18)17(22)19-11-13-9-10-21(20-13)14-5-7-15(23-3)8-6-14/h5-10,12,16H,4,11,18H2,1-3H3,(H,19,22)
InChIKeyAZVMWNOZQACVBF-UHFFFAOYSA-N
XLogP1.87
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]propanamide;hydrochloride
CID 119302651
2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pentanamide;hydrochloride
CID 119302653
2-amino-3-methoxy-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]propanamide
CID 120987280
1-[(2R)-2-hydroxypropyl]-3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]urea
CID 94656869
2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]-3-methylpentanamide;hydrochloride
CID 119699304
(2S)-2-amino-N-[2-(4-methoxyphenyl)ethyl]-3-methylpentanamide
CID 22690831
3-fluoro-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]benzamide
CID 136578868
1-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111227214
2-amino-N-[3-(4-methoxyphenyl)butyl]-3-methylpentanamide
CID 119799848
N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]piperidine-2-carboxamide
CID 119302636
N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-(4-nitrophenoxy)acetamide
CID 60574874
2-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-methylpentanamide
CID 119758287

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylpentanamide?
The IUPAC name of 2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylpentanamide (CID 119747670) is 2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylpentanamide?
The canonical SMILES for 2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylpentanamide is CCC(C)C(N)C(=O)NCc1ccn(-c2ccc(OC)cc2)n1.
What is the InChIKey of 2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylpentanamide?
The InChIKey is AZVMWNOZQACVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-4-12(2)16(18)17(22)19-11-13-9-10-21(20-13)14-5-7-15(23-3)8-6-14/h5-10,12,16H,4,11,18H2,1-3H3,(H,19,22).
What are the key properties of 2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylpentanamide?
2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylpentanamide has a molecular weight of 316.41 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylpentanamide is sourced from PubChem (CID 119747670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).