2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenylacetamide;hydrochloride

C15H21ClN4O — CID 119293154

IUPAC2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenylacetamide;hydrochloride
SMILESCc1c(C(C)NC(=O)C(N)c2ccccc2)cnn1C.Cl
InChIInChI=1S/C15H20N4O.ClH/c1-10(13-9-17-19(3)11(13)2)18-15(20)14(16)12-7-5-4-6-8-12;/h4-10,14H,16H2,1-3H3,(H,18,20);1H
InChIKeyNGAYOUODNPIHJW-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.03
Rot. Bonds4

About 2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenylacetamide;hydrochloride

2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenylacetamide;hydrochloride (PubChem CID 119293154) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is 2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenylacetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenylacetamide;hydrochloride
PubChem CID119293154
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC Name2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenylacetamide;hydrochloride
SMILESCc1c(C(C)NC(=O)C(N)c2ccccc2)cnn1C.Cl
InChIInChI=1S/C15H20N4O.ClH/c1-10(13-9-17-19(3)11(13)2)18-15(20)14(16)12-7-5-4-6-8-12;/h4-10,14H,16H2,1-3H3,(H,18,20);1H
InChIKeyNGAYOUODNPIHJW-UHFFFAOYSA-N
XLogP2.03
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutanamide;hydrochloride
CID 119293160
3-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbutanamide
CID 113416098
(2S)-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenoxypropanamide
CID 29183103
2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylpentanamide
CID 43696292
2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide
CID 61214245
4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride
CID 119730438
2-amino-N-[1-(3,5-dimethylphenyl)ethyl]-2-phenylacetamide;hydrochloride
CID 119320621
2-amino-N-[(1S)-1-(2-methylphenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115291040
(3S)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-5-phenylpentanamide
CID 94800927
(3R)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-5-phenylpentanamide
CID 94800929
2-amino-2-phenyl-N-propan-2-ylacetamide;hydrochloride
CID 22262716
2-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
CID 62855381

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenylacetamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenylacetamide;hydrochloride (CID 119293154) is 2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenylacetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenylacetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenylacetamide;hydrochloride is Cc1c(C(C)NC(=O)C(N)c2ccccc2)cnn1C.Cl.
What is the InChIKey of 2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenylacetamide;hydrochloride?
The InChIKey is NGAYOUODNPIHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O.ClH/c1-10(13-9-17-19(3)11(13)2)18-15(20)14(16)12-7-5-4-6-8-12;/h4-10,14H,16H2,1-3H3,(H,18,20);1H.
What are the key properties of 2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenylacetamide;hydrochloride?
2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenylacetamide;hydrochloride has a molecular weight of 308.81 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenylacetamide;hydrochloride is sourced from PubChem (CID 119293154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).