5-cyclopropyl-N-[3-(methylamino)propyl]-1H-pyrazole-3-carboxamide;hydrochloride

C11H19ClN4O — CID 119430091

IUPAC5-cyclopropyl-N-[3-(methylamino)propyl]-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCNCCCNC(=O)c1cc(C2CC2)[nH]n1.Cl
InChIInChI=1S/C11H18N4O.ClH/c1-12-5-2-6-13-11(16)10-7-9(14-15-10)8-3-4-8;/h7-8,12H,2-6H2,1H3,(H,13,16)(H,14,15);1H
InChIKeyDQZKMCPZQPBKGV-UHFFFAOYSA-N
MW258.75 g/mol
LogP1.05
Rot. Bonds6

About 5-cyclopropyl-N-[3-(methylamino)propyl]-1H-pyrazole-3-carboxamide;hydrochloride

5-cyclopropyl-N-[3-(methylamino)propyl]-1H-pyrazole-3-carboxamide;hydrochloride (PubChem CID 119430091) has the molecular formula C11H19ClN4O and a molecular weight of 258.75 g/mol. Its IUPAC name is 5-cyclopropyl-N-[3-(methylamino)propyl]-1H-pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-cyclopropyl-N-[3-(methylamino)propyl]-1H-pyrazole-3-carboxamide;hydrochloride
PubChem CID119430091
Molecular FormulaC11H19ClN4O
Molecular Weight258.75 g/mol
Exact Mass258.12
IUPAC Name5-cyclopropyl-N-[3-(methylamino)propyl]-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCNCCCNC(=O)c1cc(C2CC2)[nH]n1.Cl
InChIInChI=1S/C11H18N4O.ClH/c1-12-5-2-6-13-11(16)10-7-9(14-15-10)8-3-4-8;/h7-8,12H,2-6H2,1H3,(H,13,16)(H,14,15);1H
InChIKeyDQZKMCPZQPBKGV-UHFFFAOYSA-N
XLogP1.05
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[3-(methylamino)propyl]-1H-pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 5-cyclopropyl-N-[3-(methylamino)propyl]-1H-pyrazole-3-carboxamide;hydrochloride (CID 119430091) is 5-cyclopropyl-N-[3-(methylamino)propyl]-1H-pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-cyclopropyl-N-[3-(methylamino)propyl]-1H-pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 5-cyclopropyl-N-[3-(methylamino)propyl]-1H-pyrazole-3-carboxamide;hydrochloride is CNCCCNC(=O)c1cc(C2CC2)[nH]n1.Cl.
What is the InChIKey of 5-cyclopropyl-N-[3-(methylamino)propyl]-1H-pyrazole-3-carboxamide;hydrochloride?
The InChIKey is DQZKMCPZQPBKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O.ClH/c1-12-5-2-6-13-11(16)10-7-9(14-15-10)8-3-4-8;/h7-8,12H,2-6H2,1H3,(H,13,16)(H,14,15);1H.
What are the key properties of 5-cyclopropyl-N-[3-(methylamino)propyl]-1H-pyrazole-3-carboxamide;hydrochloride?
5-cyclopropyl-N-[3-(methylamino)propyl]-1H-pyrazole-3-carboxamide;hydrochloride has a molecular weight of 258.75 g/mol, XLogP of 1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[3-(methylamino)propyl]-1H-pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119430091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).