N-(dicyclopropylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C15H23N3O — CID 30757353

IUPACN-(dicyclopropylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C15H23N3O/c1-9-13(10(2)18(3)17-9)8-14(19)16-15(11-4-5-11)12-6-7-12/h11-12,15H,4-8H2,1-3H3,(H,16,19)
InChIKeyKHANEASFIFUIAC-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.88
Rot. Bonds5

About N-(dicyclopropylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-(dicyclopropylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 30757353) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID30757353
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-(dicyclopropylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C15H23N3O/c1-9-13(10(2)18(3)17-9)8-14(19)16-15(11-4-5-11)12-6-7-12/h11-12,15H,4-8H2,1-3H3,(H,16,19)
InChIKeyKHANEASFIFUIAC-UHFFFAOYSA-N
XLogP1.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-(dicyclopropylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 30757353) is N-(dicyclopropylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-(dicyclopropylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-(dicyclopropylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1CC(=O)NC(C1CC1)C1CC1.
What is the InChIKey of N-(dicyclopropylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is KHANEASFIFUIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-9-13(10(2)18(3)17-9)8-14(19)16-15(11-4-5-11)12-6-7-12/h11-12,15H,4-8H2,1-3H3,(H,16,19).
What are the key properties of N-(dicyclopropylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-(dicyclopropylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 261.37 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 30757353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).