N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]cyclobutanecarboxamide

C13H19N3O — CID 71808537

IUPACN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]cyclobutanecarboxamide
SMILESCn1nc(CNC(=O)C2CCC2)cc1C1CC1
InChIInChI=1S/C13H19N3O/c1-16-12(9-5-6-9)7-11(15-16)8-14-13(17)10-3-2-4-10/h7,9-10H,2-6,8H2,1H3,(H,14,17)
InChIKeyKPVGTYBUWBKEHY-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.71
Rot. Bonds4

About N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]cyclobutanecarboxamide

N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]cyclobutanecarboxamide (PubChem CID 71808537) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]cyclobutanecarboxamide
PubChem CID71808537
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]cyclobutanecarboxamide
SMILESCn1nc(CNC(=O)C2CCC2)cc1C1CC1
InChIInChI=1S/C13H19N3O/c1-16-12(9-5-6-9)7-11(15-16)8-14-13(17)10-3-2-4-10/h7,9-10H,2-6,8H2,1H3,(H,14,17)
InChIKeyKPVGTYBUWBKEHY-UHFFFAOYSA-N
XLogP1.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]cyclobutanecarboxamide?
The IUPAC name of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]cyclobutanecarboxamide (CID 71808537) is N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]cyclobutanecarboxamide is Cn1nc(CNC(=O)C2CCC2)cc1C1CC1.
What is the InChIKey of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]cyclobutanecarboxamide?
The InChIKey is KPVGTYBUWBKEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-16-12(9-5-6-9)7-11(15-16)8-14-13(17)10-3-2-4-10/h7,9-10H,2-6,8H2,1H3,(H,14,17).
What are the key properties of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]cyclobutanecarboxamide?
N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]cyclobutanecarboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]cyclobutanecarboxamide is sourced from PubChem (CID 71808537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).