N-[3-(1-methylpyrazol-4-yl)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

C13H23ClN4O — CID 119770919

IUPACN-[3-(1-methylpyrazol-4-yl)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCl.Cn1cc(CCCNC(=O)CC2CCCN2)cn1
InChIInChI=1S/C13H22N4O.ClH/c1-17-10-11(9-16-17)4-2-7-15-13(18)8-12-5-3-6-14-12;/h9-10,12,14H,2-8H2,1H3,(H,15,18);1H
InChIKeyKZVVWERKXYIQTQ-UHFFFAOYSA-N
MW286.81 g/mol
LogP1.03
Rot. Bonds6

About N-[3-(1-methylpyrazol-4-yl)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

N-[3-(1-methylpyrazol-4-yl)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119770919) has the molecular formula C13H23ClN4O and a molecular weight of 286.81 g/mol. Its IUPAC name is N-[3-(1-methylpyrazol-4-yl)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(1-methylpyrazol-4-yl)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119770919
Molecular FormulaC13H23ClN4O
Molecular Weight286.81 g/mol
Exact Mass286.16
IUPAC NameN-[3-(1-methylpyrazol-4-yl)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCl.Cn1cc(CCCNC(=O)CC2CCCN2)cn1
InChIInChI=1S/C13H22N4O.ClH/c1-17-10-11(9-16-17)4-2-7-15-13(18)8-12-5-3-6-14-12;/h9-10,12,14H,2-8H2,1H3,(H,15,18);1H
InChIKeyKZVVWERKXYIQTQ-UHFFFAOYSA-N
XLogP1.03
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119513351
2-pyrrolidin-2-yl-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride
CID 119835586
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-piperidin-4-yloxyacetamide
CID 80682195
N-[4-(4-ethylpiperazin-1-yl)butyl]-2-pyrrolidin-2-ylacetamide;trihydrochloride
CID 119902055
N-(1,5-dimethylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119797911
N-(3-imidazol-1-ylpropyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119827227
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 63330156
N-octyl-2-pyrrolidin-2-ylacetamide
CID 115567860
N-[2-(1-methylpyrazol-4-yl)ethyl]-1-piperidin-2-ylmethanesulfonamide
CID 80688987
N-(3-aminopropyl)-2-pyrrolidin-2-ylacetamide
CID 61366460
N-[3-(2-phenylethoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119739702
N-[2-(4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 61371571

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylpyrazol-4-yl)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-[3-(1-methylpyrazol-4-yl)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119770919) is N-[3-(1-methylpyrazol-4-yl)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-[3-(1-methylpyrazol-4-yl)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-[3-(1-methylpyrazol-4-yl)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is Cl.Cn1cc(CCCNC(=O)CC2CCCN2)cn1.
What is the InChIKey of N-[3-(1-methylpyrazol-4-yl)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is KZVVWERKXYIQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O.ClH/c1-17-10-11(9-16-17)4-2-7-15-13(18)8-12-5-3-6-14-12;/h9-10,12,14H,2-8H2,1H3,(H,15,18);1H.
What are the key properties of N-[3-(1-methylpyrazol-4-yl)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-[3-(1-methylpyrazol-4-yl)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 286.81 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylpyrazol-4-yl)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119770919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).