2-amino-2-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pentanamide

C16H22N4O — CID 61165757

IUPAC2-amino-2-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pentanamide
SMILESCCCC(C)(N)C(=O)NCc1ccccc1-n1cccn1
InChIInChI=1S/C16H22N4O/c1-3-9-16(2,17)15(21)18-12-13-7-4-5-8-14(13)20-11-6-10-19-20/h4-8,10-11H,3,9,12,17H2,1-2H3,(H,18,21)
InChIKeyICKUSHKNGOQUGV-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.01
Rot. Bonds6

About 2-amino-2-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pentanamide

2-amino-2-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pentanamide (PubChem CID 61165757) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pentanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pentanamide
PubChem CID61165757
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-amino-2-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pentanamide
SMILESCCCC(C)(N)C(=O)NCc1ccccc1-n1cccn1
InChIInChI=1S/C16H22N4O/c1-3-9-16(2,17)15(21)18-12-13-7-4-5-8-14(13)20-11-6-10-19-20/h4-8,10-11H,3,9,12,17H2,1-2H3,(H,18,21)
InChIKeyICKUSHKNGOQUGV-UHFFFAOYSA-N
XLogP2.01
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2-pyrazol-1-ylphenyl)methyl]carbamate
CID 63789237
2-amino-2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
CID 62880973
2-bromo-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
CID 62854534
2-amino-2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pentanamide;dihydrochloride
CID 119846813
4-amino-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
CID 61166353
3-(aminomethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pentanamide
CID 81083953
2-amino-3-methoxy-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide
CID 81089680
4-amino-3-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
CID 81087122
2-(azetidin-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide
CID 116677047
1-(1-propylpiperidin-4-yl)-3-[(2-pyrazol-1-ylphenyl)methyl]urea
CID 154748194
2-amino-2-methyl-N-(pyridazin-3-ylmethyl)pentanamide
CID 106896146
2-amino-2-methyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]pentanamide;hydrochloride
CID 119718098

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pentanamide?
The IUPAC name of 2-amino-2-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pentanamide (CID 61165757) is 2-amino-2-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pentanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pentanamide?
The canonical SMILES for 2-amino-2-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pentanamide is CCCC(C)(N)C(=O)NCc1ccccc1-n1cccn1.
What is the InChIKey of 2-amino-2-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pentanamide?
The InChIKey is ICKUSHKNGOQUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-9-16(2,17)15(21)18-12-13-7-4-5-8-14(13)20-11-6-10-19-20/h4-8,10-11H,3,9,12,17H2,1-2H3,(H,18,21).
What are the key properties of 2-amino-2-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pentanamide?
2-amino-2-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pentanamide has a molecular weight of 286.38 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pentanamide is sourced from PubChem (CID 61165757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).