2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(propylamino)propanamide

C14H24N4OS — CID 63921435

IUPAC2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(propylamino)propanamide
SMILESCCCNC(CSc1cc(C)nn1C)(C(N)=O)C1CC1
InChIInChI=1S/C14H24N4OS/c1-4-7-16-14(13(15)19,11-5-6-11)9-20-12-8-10(2)17-18(12)3/h8,11,16H,4-7,9H2,1-3H3,(H2,15,19)
InChIKeyWXZXINDGNDAPKN-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.45
Rot. Bonds8

About 2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(propylamino)propanamide

2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(propylamino)propanamide (PubChem CID 63921435) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(propylamino)propanamide.

Molecular Properties

Compound Name2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(propylamino)propanamide
PubChem CID63921435
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(propylamino)propanamide
SMILESCCCNC(CSc1cc(C)nn1C)(C(N)=O)C1CC1
InChIInChI=1S/C14H24N4OS/c1-4-7-16-14(13(15)19,11-5-6-11)9-20-12-8-10(2)17-18(12)3/h8,11,16H,4-7,9H2,1-3H3,(H2,15,19)
InChIKeyWXZXINDGNDAPKN-UHFFFAOYSA-N
XLogP1.45
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(propylamino)propanamide?
The IUPAC name of 2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(propylamino)propanamide (CID 63921435) is 2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(propylamino)propanamide.
What is the SMILES notation for 2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(propylamino)propanamide?
The canonical SMILES for 2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(propylamino)propanamide is CCCNC(CSc1cc(C)nn1C)(C(N)=O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(propylamino)propanamide?
The InChIKey is WXZXINDGNDAPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-4-7-16-14(13(15)19,11-5-6-11)9-20-12-8-10(2)17-18(12)3/h8,11,16H,4-7,9H2,1-3H3,(H2,15,19).
What are the key properties of 2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(propylamino)propanamide?
2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(propylamino)propanamide has a molecular weight of 296.44 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(propylamino)propanamide is sourced from PubChem (CID 63921435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).