N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)cyclopropanecarboxamide

C12H19N3O — CID 61215930

IUPACN-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)cyclopropanecarboxamide
SMILESCc1nn(C(C)C)c(C)c1NC(=O)C1CC1
InChIInChI=1S/C12H19N3O/c1-7(2)15-9(4)11(8(3)14-15)13-12(16)10-5-6-10/h7,10H,5-6H2,1-4H3,(H,13,16)
InChIKeyNIIDDRSXVZTINE-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.43
Rot. Bonds3

About N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)cyclopropanecarboxamide

N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)cyclopropanecarboxamide (PubChem CID 61215930) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)cyclopropanecarboxamide
PubChem CID61215930
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)cyclopropanecarboxamide
SMILESCc1nn(C(C)C)c(C)c1NC(=O)C1CC1
InChIInChI=1S/C12H19N3O/c1-7(2)15-9(4)11(8(3)14-15)13-12(16)10-5-6-10/h7,10H,5-6H2,1-4H3,(H,13,16)
InChIKeyNIIDDRSXVZTINE-UHFFFAOYSA-N
XLogP2.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)cyclopropanecarboxamide?
The IUPAC name of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)cyclopropanecarboxamide (CID 61215930) is N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)cyclopropanecarboxamide is Cc1nn(C(C)C)c(C)c1NC(=O)C1CC1.
What is the InChIKey of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)cyclopropanecarboxamide?
The InChIKey is NIIDDRSXVZTINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-7(2)15-9(4)11(8(3)14-15)13-12(16)10-5-6-10/h7,10H,5-6H2,1-4H3,(H,13,16).
What are the key properties of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)cyclopropanecarboxamide?
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)cyclopropanecarboxamide has a molecular weight of 221.30 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)cyclopropanecarboxamide is sourced from PubChem (CID 61215930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).