N-(2-aminoethyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide;hydrochloride

C9H16Cl2N4O — CID 119384557

IUPACN-(2-aminoethyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide;hydrochloride
SMILESCc1nn(CC(=O)NCCN)c(C)c1Cl.Cl
InChIInChI=1S/C9H15ClN4O.ClH/c1-6-9(10)7(2)14(13-6)5-8(15)12-4-3-11;/h3-5,11H2,1-2H3,(H,12,15);1H
InChIKeyDCUNJBBURBZNSA-UHFFFAOYSA-N
MW267.16 g/mol
LogP0.65
Rot. Bonds4

About N-(2-aminoethyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide;hydrochloride

N-(2-aminoethyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide;hydrochloride (PubChem CID 119384557) has the molecular formula C9H16Cl2N4O and a molecular weight of 267.16 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide;hydrochloride
PubChem CID119384557
Molecular FormulaC9H16Cl2N4O
Molecular Weight267.16 g/mol
Exact Mass266.07
IUPAC NameN-(2-aminoethyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide;hydrochloride
SMILESCc1nn(CC(=O)NCCN)c(C)c1Cl.Cl
InChIInChI=1S/C9H15ClN4O.ClH/c1-6-9(10)7(2)14(13-6)5-8(15)12-4-3-11;/h3-5,11H2,1-2H3,(H,12,15);1H
InChIKeyDCUNJBBURBZNSA-UHFFFAOYSA-N
XLogP0.65
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-4-methylpentyl)acetamide
CID 111460706
N-(3-aminopropyl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide
CID 19621093
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]acetamide
CID 118776267
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 19515769
N-butan-2-yl-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide
CID 19525213
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19525222
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(2-nitroanilino)ethyl]acetamide
CID 47049422
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-sulfanylethyl)propanamide
CID 19543724
tert-butyl 4-[3-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]amino]propyl]piperazine-1-carboxylate
CID 55960777
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
CID 19519490
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(4-fluorophenyl)propyl]acetamide
CID 110279440
N-(5-amino-2-fluorophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide
CID 62129491

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide;hydrochloride (CID 119384557) is N-(2-aminoethyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide;hydrochloride is Cc1nn(CC(=O)NCCN)c(C)c1Cl.Cl.
What is the InChIKey of N-(2-aminoethyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide;hydrochloride?
The InChIKey is DCUNJBBURBZNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4O.ClH/c1-6-9(10)7(2)14(13-6)5-8(15)12-4-3-11;/h3-5,11H2,1-2H3,(H,12,15);1H.
What are the key properties of N-(2-aminoethyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide;hydrochloride?
N-(2-aminoethyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide;hydrochloride has a molecular weight of 267.16 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 119384557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).