5-cyclopropyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide

C13H20N4O — CID 47030907

IUPAC5-cyclopropyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide
SMILESCN1CCC(NC(=O)c2cc(C3CC3)[nH]n2)CC1
InChIInChI=1S/C13H20N4O/c1-17-6-4-10(5-7-17)14-13(18)12-8-11(15-16-12)9-2-3-9/h8-10H,2-7H2,1H3,(H,14,18)(H,15,16)
InChIKeyTWAHKEOFJIUNSC-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.11
Rot. Bonds3

About 5-cyclopropyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide (PubChem CID 47030907) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-cyclopropyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide
PubChem CID47030907
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name5-cyclopropyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide
SMILESCN1CCC(NC(=O)c2cc(C3CC3)[nH]n2)CC1
InChIInChI=1S/C13H20N4O/c1-17-6-4-10(5-7-17)14-13(18)12-8-11(15-16-12)9-2-3-9/h8-10H,2-7H2,1H3,(H,14,18)(H,15,16)
InChIKeyTWAHKEOFJIUNSC-UHFFFAOYSA-N
XLogP1.11
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide (CID 47030907) is 5-cyclopropyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide is CN1CCC(NC(=O)c2cc(C3CC3)[nH]n2)CC1.
What is the InChIKey of 5-cyclopropyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is TWAHKEOFJIUNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-17-6-4-10(5-7-17)14-13(18)12-8-11(15-16-12)9-2-3-9/h8-10H,2-7H2,1H3,(H,14,18)(H,15,16).
What are the key properties of 5-cyclopropyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 47030907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).