2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pentanamide;hydrochloride

C16H23ClN4O2 — CID 119302653

IUPAC2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NCc1ccn(-c2ccc(OC)cc2)n1.Cl
InChIInChI=1S/C16H22N4O2.ClH/c1-3-4-15(17)16(21)18-11-12-9-10-20(19-12)13-5-7-14(22-2)8-6-13;/h5-10,15H,3-4,11,17H2,1-2H3,(H,18,21);1H
InChIKeyWNMUNQNLWAYNOS-UHFFFAOYSA-N
MW338.84 g/mol
LogP2.05
Rot. Bonds7

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

2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pentanamide;hydrochloride (PubChem CID 119302653) has the molecular formula C16H23ClN4O2 and a molecular weight of 338.84 g/mol. Its IUPAC name is 2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pentanamide;hydrochloride
PubChem CID119302653
Molecular FormulaC16H23ClN4O2
Molecular Weight338.84 g/mol
Exact Mass338.15
IUPAC Name2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NCc1ccn(-c2ccc(OC)cc2)n1.Cl
InChIInChI=1S/C16H22N4O2.ClH/c1-3-4-15(17)16(21)18-11-12-9-10-20(19-12)13-5-7-14(22-2)8-6-13;/h5-10,15H,3-4,11,17H2,1-2H3,(H,18,21);1H
InChIKeyWNMUNQNLWAYNOS-UHFFFAOYSA-N
XLogP2.05
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-methoxy-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]propanamide
CID 120987280
(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]-3-methylpentanamide
CID 119747670
1-[(2R)-2-hydroxypropyl]-3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]urea
CID 94656869
1-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111227214
2-amino-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]pentanamide
CID 119342011
2-amino-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pentanamide;hydrochloride
CID 119295882
3-fluoro-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]benzamide
CID 136578868
2-amino-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pentanamide
CID 119305831
(2R)-2-amino-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 82873249
2-amino-N-(1-phenylpyrazol-3-yl)pentanamide;hydrochloride
CID 119278205
N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-(4-nitrophenoxy)acetamide
CID 60574874

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pentanamide;hydrochloride (CID 119302653) is 2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pentanamide;hydrochloride is CCCC(N)C(=O)NCc1ccn(-c2ccc(OC)cc2)n1.Cl.
What is the InChIKey of 2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pentanamide;hydrochloride?
The InChIKey is WNMUNQNLWAYNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2.ClH/c1-3-4-15(17)16(21)18-11-12-9-10-20(19-12)13-5-7-14(22-2)8-6-13;/h5-10,15H,3-4,11,17H2,1-2H3,(H,18,21);1H.
What are the key properties of 2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pentanamide;hydrochloride?
2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pentanamide;hydrochloride has a molecular weight of 338.84 g/mol, XLogP of 2.05, 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]pentanamide;hydrochloride is sourced from PubChem (CID 119302653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).