N-(1-ethylpyrazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C14H21N5O — CID 71688969

IUPACN-(1-ethylpyrazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCCn1ccc(NC(=O)CCc2c(C)nn(C)c2C)n1
InChIInChI=1S/C14H21N5O/c1-5-19-9-8-13(17-19)15-14(20)7-6-12-10(2)16-18(4)11(12)3/h8-9H,5-7H2,1-4H3,(H,15,17,20)
InChIKeyHJROIYKBWCVUIA-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.82
Rot. Bonds5

About N-(1-ethylpyrazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-(1-ethylpyrazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 71688969) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is N-(1-ethylpyrazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID71688969
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC NameN-(1-ethylpyrazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCCn1ccc(NC(=O)CCc2c(C)nn(C)c2C)n1
InChIInChI=1S/C14H21N5O/c1-5-19-9-8-13(17-19)15-14(20)7-6-12-10(2)16-18(4)11(12)3/h8-9H,5-7H2,1-4H3,(H,15,17,20)
InChIKeyHJROIYKBWCVUIA-UHFFFAOYSA-N
XLogP1.82
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-(1-ethylpyrazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 71688969) is N-(1-ethylpyrazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(1-ethylpyrazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(1-ethylpyrazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is CCn1ccc(NC(=O)CCc2c(C)nn(C)c2C)n1.
What is the InChIKey of N-(1-ethylpyrazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is HJROIYKBWCVUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-5-19-9-8-13(17-19)15-14(20)7-6-12-10(2)16-18(4)11(12)3/h8-9H,5-7H2,1-4H3,(H,15,17,20).
What are the key properties of N-(1-ethylpyrazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-(1-ethylpyrazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 275.36 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 71688969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).