4-amino-N-[2-(2-phenylethyl)pyrazol-3-yl]pentanamide

C16H22N4O — CID 120559913

IUPAC4-amino-N-[2-(2-phenylethyl)pyrazol-3-yl]pentanamide
SMILESCC(N)CCC(=O)Nc1ccnn1CCc1ccccc1
InChIInChI=1S/C16H22N4O/c1-13(17)7-8-16(21)19-15-9-11-18-20(15)12-10-14-5-3-2-4-6-14/h2-6,9,11,13H,7-8,10,12,17H2,1H3,(H,19,21)
InChIKeyDYAAGKSHHBHBPB-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.19
Rot. Bonds7

About 4-amino-N-[2-(2-phenylethyl)pyrazol-3-yl]pentanamide

4-amino-N-[2-(2-phenylethyl)pyrazol-3-yl]pentanamide (PubChem CID 120559913) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-amino-N-[2-(2-phenylethyl)pyrazol-3-yl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[2-(2-phenylethyl)pyrazol-3-yl]pentanamide
PubChem CID120559913
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-amino-N-[2-(2-phenylethyl)pyrazol-3-yl]pentanamide
SMILESCC(N)CCC(=O)Nc1ccnn1CCc1ccccc1
InChIInChI=1S/C16H22N4O/c1-13(17)7-8-16(21)19-15-9-11-18-20(15)12-10-14-5-3-2-4-6-14/h2-6,9,11,13H,7-8,10,12,17H2,1H3,(H,19,21)
InChIKeyDYAAGKSHHBHBPB-UHFFFAOYSA-N
XLogP2.19
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[2-(2-phenylethyl)pyrazol-3-yl]propanamide
CID 119282442
4-(methylamino)-N-[2-(2-phenylethyl)pyrazol-3-yl]butanamide;hydrochloride
CID 119710915
4-amino-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]pentanamide
CID 120559345
2-hydroxy-2-phenyl-N-[2-(2-phenylethyl)pyrazol-3-yl]acetamide
CID 111432601
N-[2-(2-phenylethyl)pyrazol-3-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119710933
N-[2-(2-phenylethyl)pyrazol-3-yl]-2-prop-2-enylsulfanylacetamide
CID 51103469
4-(3-acetylphenoxy)-N-[2-(2-phenylethyl)pyrazol-3-yl]butanamide
CID 60612910
2-hydroxy-N-[2-(2-phenylethyl)pyrazol-3-yl]cyclopentane-1-carboxamide
CID 110014410
4-methyl-N-[2-(2-phenylethyl)pyrazol-3-yl]-1,4-diazepane-1-carboxamide
CID 86800393
3-amino-N-(2-ethylpyrazol-3-yl)butanamide
CID 130878664
4-amino-N-[2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide
CID 120559352
9-amino-N-[2-(2-phenylethyl)pyrazol-3-yl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120988251

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2-phenylethyl)pyrazol-3-yl]pentanamide?
The IUPAC name of 4-amino-N-[2-(2-phenylethyl)pyrazol-3-yl]pentanamide (CID 120559913) is 4-amino-N-[2-(2-phenylethyl)pyrazol-3-yl]pentanamide.
What is the SMILES notation for 4-amino-N-[2-(2-phenylethyl)pyrazol-3-yl]pentanamide?
The canonical SMILES for 4-amino-N-[2-(2-phenylethyl)pyrazol-3-yl]pentanamide is CC(N)CCC(=O)Nc1ccnn1CCc1ccccc1.
What is the InChIKey of 4-amino-N-[2-(2-phenylethyl)pyrazol-3-yl]pentanamide?
The InChIKey is DYAAGKSHHBHBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-13(17)7-8-16(21)19-15-9-11-18-20(15)12-10-14-5-3-2-4-6-14/h2-6,9,11,13H,7-8,10,12,17H2,1H3,(H,19,21).
What are the key properties of 4-amino-N-[2-(2-phenylethyl)pyrazol-3-yl]pentanamide?
4-amino-N-[2-(2-phenylethyl)pyrazol-3-yl]pentanamide has a molecular weight of 286.38 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2-phenylethyl)pyrazol-3-yl]pentanamide is sourced from PubChem (CID 120559913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).