N-(1-butyl-4-methylpyrazol-5-yl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride

C13H21ClN4O — CID 154914187

IUPACN-(1-butyl-4-methylpyrazol-5-yl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCCCCn1ncc(C)c1NC(=O)C1C=CCN1.Cl
InChIInChI=1S/C13H20N4O.ClH/c1-3-4-8-17-12(10(2)9-15-17)16-13(18)11-6-5-7-14-11;/h5-6,9,11,14H,3-4,7-8H2,1-2H3,(H,16,18);1H
InChIKeyOBOPHHJWJMKKFC-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.88
Rot. Bonds5

About N-(1-butyl-4-methylpyrazol-5-yl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride

N-(1-butyl-4-methylpyrazol-5-yl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride (PubChem CID 154914187) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is N-(1-butyl-4-methylpyrazol-5-yl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-butyl-4-methylpyrazol-5-yl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
PubChem CID154914187
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC NameN-(1-butyl-4-methylpyrazol-5-yl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCCCCn1ncc(C)c1NC(=O)C1C=CCN1.Cl
InChIInChI=1S/C13H20N4O.ClH/c1-3-4-8-17-12(10(2)9-15-17)16-13(18)11-6-5-7-14-11;/h5-6,9,11,14H,3-4,7-8H2,1-2H3,(H,16,18);1H
InChIKeyOBOPHHJWJMKKFC-UHFFFAOYSA-N
XLogP1.88
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-butyl-4-methylpyrazol-5-yl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride?
The IUPAC name of N-(1-butyl-4-methylpyrazol-5-yl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride (CID 154914187) is N-(1-butyl-4-methylpyrazol-5-yl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-butyl-4-methylpyrazol-5-yl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for N-(1-butyl-4-methylpyrazol-5-yl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride is CCCCn1ncc(C)c1NC(=O)C1C=CCN1.Cl.
What is the InChIKey of N-(1-butyl-4-methylpyrazol-5-yl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride?
The InChIKey is OBOPHHJWJMKKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O.ClH/c1-3-4-8-17-12(10(2)9-15-17)16-13(18)11-6-5-7-14-11;/h5-6,9,11,14H,3-4,7-8H2,1-2H3,(H,16,18);1H.
What are the key properties of N-(1-butyl-4-methylpyrazol-5-yl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride?
N-(1-butyl-4-methylpyrazol-5-yl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butyl-4-methylpyrazol-5-yl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 154914187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).