N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropanecarboxamide

C12H19N3O — CID 47452820

IUPACN-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropanecarboxamide
SMILESCc1nn(C)c(C)c1C(C)NC(=O)C1CC1
InChIInChI=1S/C12H19N3O/c1-7(13-12(16)10-5-6-10)11-8(2)14-15(4)9(11)3/h7,10H,5-6H2,1-4H3,(H,13,16)
InChIKeyBHGZLVSSGYOUHO-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.62
Rot. Bonds3

About N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropanecarboxamide

N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropanecarboxamide (PubChem CID 47452820) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropanecarboxamide
PubChem CID47452820
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropanecarboxamide
SMILESCc1nn(C)c(C)c1C(C)NC(=O)C1CC1
InChIInChI=1S/C12H19N3O/c1-7(13-12(16)10-5-6-10)11-8(2)14-15(4)9(11)3/h7,10H,5-6H2,1-4H3,(H,13,16)
InChIKeyBHGZLVSSGYOUHO-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropanecarboxamide (CID 47452820) is N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropanecarboxamide is Cc1nn(C)c(C)c1C(C)NC(=O)C1CC1.
What is the InChIKey of N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropanecarboxamide?
The InChIKey is BHGZLVSSGYOUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-7(13-12(16)10-5-6-10)11-8(2)14-15(4)9(11)3/h7,10H,5-6H2,1-4H3,(H,13,16).
What are the key properties of N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropanecarboxamide?
N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropanecarboxamide has a molecular weight of 221.30 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 47452820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).