1-cyclopropyl-N-(1-methylsulfanylethyl)pyrazole-4-carboxamide

C10H15N3OS — CID 167136412

IUPAC1-cyclopropyl-N-(1-methylsulfanylethyl)pyrazole-4-carboxamide
SMILESCSC(C)NC(=O)c1cnn(C2CC2)c1
InChIInChI=1S/C10H15N3OS/c1-7(15-2)12-10(14)8-5-11-13(6-8)9-3-4-9/h5-7,9H,3-4H2,1-2H3,(H,12,14)
InChIKeyMPGZEWXMPLTUBK-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.66
Rot. Bonds4

About 1-cyclopropyl-N-(1-methylsulfanylethyl)pyrazole-4-carboxamide

1-cyclopropyl-N-(1-methylsulfanylethyl)pyrazole-4-carboxamide (PubChem CID 167136412) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 1-cyclopropyl-N-(1-methylsulfanylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-(1-methylsulfanylethyl)pyrazole-4-carboxamide
PubChem CID167136412
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name1-cyclopropyl-N-(1-methylsulfanylethyl)pyrazole-4-carboxamide
SMILESCSC(C)NC(=O)c1cnn(C2CC2)c1
InChIInChI=1S/C10H15N3OS/c1-7(15-2)12-10(14)8-5-11-13(6-8)9-3-4-9/h5-7,9H,3-4H2,1-2H3,(H,12,14)
InChIKeyMPGZEWXMPLTUBK-UHFFFAOYSA-N
XLogP1.66
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(1-methylsulfanylethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-cyclopropyl-N-(1-methylsulfanylethyl)pyrazole-4-carboxamide (CID 167136412) is 1-cyclopropyl-N-(1-methylsulfanylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-(1-methylsulfanylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-(1-methylsulfanylethyl)pyrazole-4-carboxamide is CSC(C)NC(=O)c1cnn(C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-N-(1-methylsulfanylethyl)pyrazole-4-carboxamide?
The InChIKey is MPGZEWXMPLTUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-7(15-2)12-10(14)8-5-11-13(6-8)9-3-4-9/h5-7,9H,3-4H2,1-2H3,(H,12,14).
What are the key properties of 1-cyclopropyl-N-(1-methylsulfanylethyl)pyrazole-4-carboxamide?
1-cyclopropyl-N-(1-methylsulfanylethyl)pyrazole-4-carboxamide has a molecular weight of 225.32 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(1-methylsulfanylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 167136412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).