N-cyclopropyl-1-methyl-5-propan-2-ylpyrazole-4-carboxamide

C11H17N3O — CID 42818255

IUPACN-cyclopropyl-1-methyl-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)NC2CC2)cnn1C
InChIInChI=1S/C11H17N3O/c1-7(2)10-9(6-12-14(10)3)11(15)13-8-4-5-8/h6-8H,4-5H2,1-3H3,(H,13,15)
InChIKeyJOGQKNWITMWUMN-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.44
Rot. Bonds3

About N-cyclopropyl-1-methyl-5-propan-2-ylpyrazole-4-carboxamide

N-cyclopropyl-1-methyl-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 42818255) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-cyclopropyl-1-methyl-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-methyl-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID42818255
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-cyclopropyl-1-methyl-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)NC2CC2)cnn1C
InChIInChI=1S/C11H17N3O/c1-7(2)10-9(6-12-14(10)3)11(15)13-8-4-5-8/h6-8H,4-5H2,1-3H3,(H,13,15)
InChIKeyJOGQKNWITMWUMN-UHFFFAOYSA-N
XLogP1.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-methyl-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-methyl-5-propan-2-ylpyrazole-4-carboxamide (CID 42818255) is N-cyclopropyl-1-methyl-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-methyl-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-methyl-5-propan-2-ylpyrazole-4-carboxamide is CC(C)c1c(C(=O)NC2CC2)cnn1C.
What is the InChIKey of N-cyclopropyl-1-methyl-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is JOGQKNWITMWUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-7(2)10-9(6-12-14(10)3)11(15)13-8-4-5-8/h6-8H,4-5H2,1-3H3,(H,13,15).
What are the key properties of N-cyclopropyl-1-methyl-5-propan-2-ylpyrazole-4-carboxamide?
N-cyclopropyl-1-methyl-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 207.28 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-methyl-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 42818255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).