N-cyclopropyl-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide

C12H18N4O — CID 166252601

IUPACN-cyclopropyl-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide
SMILESCN1CCCC1c1cc(C(=O)NC2CC2)n[nH]1
InChIInChI=1S/C12H18N4O/c1-16-6-2-3-11(16)9-7-10(15-14-9)12(17)13-8-4-5-8/h7-8,11H,2-6H2,1H3,(H,13,17)(H,14,15)
InChIKeyMSVZLMSYQLGBJI-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.07
Rot. Bonds3

About N-cyclopropyl-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide

N-cyclopropyl-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 166252601) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-cyclopropyl-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID166252601
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-cyclopropyl-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide
SMILESCN1CCCC1c1cc(C(=O)NC2CC2)n[nH]1
InChIInChI=1S/C12H18N4O/c1-16-6-2-3-11(16)9-7-10(15-14-9)12(17)13-8-4-5-8/h7-8,11H,2-6H2,1H3,(H,13,17)(H,14,15)
InChIKeyMSVZLMSYQLGBJI-UHFFFAOYSA-N
XLogP1.07
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide (CID 166252601) is N-cyclopropyl-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide is CN1CCCC1c1cc(C(=O)NC2CC2)n[nH]1.
What is the InChIKey of N-cyclopropyl-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is MSVZLMSYQLGBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-16-6-2-3-11(16)9-7-10(15-14-9)12(17)13-8-4-5-8/h7-8,11H,2-6H2,1H3,(H,13,17)(H,14,15).
What are the key properties of N-cyclopropyl-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide?
N-cyclopropyl-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 166252601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).