N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride

C17H23ClN4O — CID 119697911

IUPACN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)CC1CCCN1.Cl
InChIInChI=1S/C17H22N4O.ClH/c1-12-17(19-16(22)11-14-7-6-10-18-14)13(2)21(20-12)15-8-4-3-5-9-15;/h3-5,8-9,14,18H,6-7,10-11H2,1-2H3,(H,19,22);1H
InChIKeyBJNBTAGFPYTIFZ-UHFFFAOYSA-N
MW334.85 g/mol
LogP2.99
Rot. Bonds4

About N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119697911) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119697911
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)CC1CCCN1.Cl
InChIInChI=1S/C17H22N4O.ClH/c1-12-17(19-16(22)11-14-7-6-10-18-14)13(2)21(20-12)15-8-4-3-5-9-15;/h3-5,8-9,14,18H,6-7,10-11H2,1-2H3,(H,19,22);1H
InChIKeyBJNBTAGFPYTIFZ-UHFFFAOYSA-N
XLogP2.99
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyrrolidin-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;hydrochloride
CID 119688876
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide
CID 119669137
N-(2,4-dimethyl-3-pyridinyl)-2-pyrrolidin-2-ylacetamide
CID 112741904
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119733243
(2R)-1-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-3-oxopropyl]pyrrolidine-2-carboxylic acid
CID 119914202
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperidine-3-carboxamide
CID 119275721
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119681127
N-(2-methyl-3-pyridinyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119844533
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-phenylsulfanylacetamide
CID 78762299
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 8903337
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-ethylphenyl)acetamide
CID 99632483
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)oxane-4-carboxamide
CID 51279535

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119697911) is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride is Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC1CCCN1.Cl.
What is the InChIKey of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is BJNBTAGFPYTIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O.ClH/c1-12-17(19-16(22)11-14-7-6-10-18-14)13(2)21(20-12)15-8-4-3-5-9-15;/h3-5,8-9,14,18H,6-7,10-11H2,1-2H3,(H,19,22);1H.
What are the key properties of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119697911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).