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

C11H19ClN4O — CID 119681127

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCc1n[nH]c(C)c1NC(=O)CC1CCCN1.Cl
InChIInChI=1S/C11H18N4O.ClH/c1-7-11(8(2)15-14-7)13-10(16)6-9-4-3-5-12-9;/h9,12H,3-6H2,1-2H3,(H,13,16)(H,14,15);1H
InChIKeyQNOGCKPCPSQUKO-UHFFFAOYSA-N
MW258.75 g/mol
LogP1.53
Rot. Bonds3

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

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119681127) has the molecular formula C11H19ClN4O and a molecular weight of 258.75 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119681127
Molecular FormulaC11H19ClN4O
Molecular Weight258.75 g/mol
Exact Mass258.12
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCc1n[nH]c(C)c1NC(=O)CC1CCCN1.Cl
InChIInChI=1S/C11H18N4O.ClH/c1-7-11(8(2)15-14-7)13-10(16)6-9-4-3-5-12-9;/h9,12H,3-6H2,1-2H3,(H,13,16)(H,14,15);1H
InChIKeyQNOGCKPCPSQUKO-UHFFFAOYSA-N
XLogP1.53
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
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N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119681127) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride is Cc1n[nH]c(C)c1NC(=O)CC1CCCN1.Cl.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is QNOGCKPCPSQUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O.ClH/c1-7-11(8(2)15-14-7)13-10(16)6-9-4-3-5-12-9;/h9,12H,3-6H2,1-2H3,(H,13,16)(H,14,15);1H.
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 258.75 g/mol, XLogP of 1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119681127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).