3-acetamido-N-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]propanamide

C14H22N4O2 — CID 164634187

IUPAC3-acetamido-N-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]propanamide
SMILESCC(=O)NCCC(=O)Nc1cc(C)nn1[C@@H](C)C1CC1
InChIInChI=1S/C14H22N4O2/c1-9-8-13(16-14(20)6-7-15-11(3)19)18(17-9)10(2)12-4-5-12/h8,10,12H,4-7H2,1-3H3,(H,15,19)(H,16,20)/t10-/m0/s1
InChIKeyIRUXGEALKXOQIF-JTQLQIEISA-N
MW278.36 g/mol
LogP1.63
Rot. Bonds6

About 3-acetamido-N-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]propanamide

3-acetamido-N-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]propanamide (PubChem CID 164634187) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-acetamido-N-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]propanamide.

Molecular Properties

Compound Name3-acetamido-N-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]propanamide
PubChem CID164634187
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name3-acetamido-N-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]propanamide
SMILESCC(=O)NCCC(=O)Nc1cc(C)nn1[C@@H](C)C1CC1
InChIInChI=1S/C14H22N4O2/c1-9-8-13(16-14(20)6-7-15-11(3)19)18(17-9)10(2)12-4-5-12/h8,10,12H,4-7H2,1-3H3,(H,15,19)(H,16,20)/t10-/m0/s1
InChIKeyIRUXGEALKXOQIF-JTQLQIEISA-N
XLogP1.63
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]propanamide?
The IUPAC name of 3-acetamido-N-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]propanamide (CID 164634187) is 3-acetamido-N-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]propanamide.
What is the SMILES notation for 3-acetamido-N-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]propanamide?
The canonical SMILES for 3-acetamido-N-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]propanamide is CC(=O)NCCC(=O)Nc1cc(C)nn1[C@@H](C)C1CC1.
What is the InChIKey of 3-acetamido-N-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]propanamide?
The InChIKey is IRUXGEALKXOQIF-JTQLQIEISA-N. The full InChI is InChI=1S/C14H22N4O2/c1-9-8-13(16-14(20)6-7-15-11(3)19)18(17-9)10(2)12-4-5-12/h8,10,12H,4-7H2,1-3H3,(H,15,19)(H,16,20)/t10-/m0/s1.
What are the key properties of 3-acetamido-N-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]propanamide?
3-acetamido-N-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]propanamide has a molecular weight of 278.36 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]propanamide is sourced from PubChem (CID 164634187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).