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

C14H23N3O — CID 46396691

IUPACN-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanecarboxamide
SMILESCCCN(Cc1c(C)nn(C)c1C)C(=O)C1CC1
InChIInChI=1S/C14H23N3O/c1-5-8-17(14(18)12-6-7-12)9-13-10(2)15-16(4)11(13)3/h12H,5-9H2,1-4H3
InChIKeyUGAFBEJLDRGFEU-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.19
Rot. Bonds5

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

N-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanecarboxamide (PubChem CID 46396691) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanecarboxamide
PubChem CID46396691
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanecarboxamide
SMILESCCCN(Cc1c(C)nn(C)c1C)C(=O)C1CC1
InChIInChI=1S/C14H23N3O/c1-5-8-17(14(18)12-6-7-12)9-13-10(2)15-16(4)11(13)3/h12H,5-9H2,1-4H3
InChIKeyUGAFBEJLDRGFEU-UHFFFAOYSA-N
XLogP2.19
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanecarboxamide (CID 46396691) is N-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanecarboxamide is CCCN(Cc1c(C)nn(C)c1C)C(=O)C1CC1.
What is the InChIKey of N-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanecarboxamide?
The InChIKey is UGAFBEJLDRGFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-5-8-17(14(18)12-6-7-12)9-13-10(2)15-16(4)11(13)3/h12H,5-9H2,1-4H3.
What are the key properties of N-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanecarboxamide?
N-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanecarboxamide has a molecular weight of 249.36 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 46396691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).