1-methyl-N-[(2-propylphenyl)carbamothioyl]pyrazole-4-carboxamide

C15H18N4OS — CID 56935763

IUPAC1-methyl-N-[(2-propylphenyl)carbamothioyl]pyrazole-4-carboxamide
SMILESCCCc1ccccc1NC(=S)NC(=O)c1cnn(C)c1
InChIInChI=1S/C15H18N4OS/c1-3-6-11-7-4-5-8-13(11)17-15(21)18-14(20)12-9-16-19(2)10-12/h4-5,7-10H,3,6H2,1-2H3,(H2,17,18,20,21)
InChIKeyBFDPNKGQHGOJQH-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.50
Rot. Bonds4

About 1-methyl-N-[(2-propylphenyl)carbamothioyl]pyrazole-4-carboxamide

1-methyl-N-[(2-propylphenyl)carbamothioyl]pyrazole-4-carboxamide (PubChem CID 56935763) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-methyl-N-[(2-propylphenyl)carbamothioyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(2-propylphenyl)carbamothioyl]pyrazole-4-carboxamide
PubChem CID56935763
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name1-methyl-N-[(2-propylphenyl)carbamothioyl]pyrazole-4-carboxamide
SMILESCCCc1ccccc1NC(=S)NC(=O)c1cnn(C)c1
InChIInChI=1S/C15H18N4OS/c1-3-6-11-7-4-5-8-13(11)17-15(21)18-14(20)12-9-16-19(2)10-12/h4-5,7-10H,3,6H2,1-2H3,(H2,17,18,20,21)
InChIKeyBFDPNKGQHGOJQH-UHFFFAOYSA-N
XLogP2.50
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2-propylphenyl)carbamothioyl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[(2-propylphenyl)carbamothioyl]pyrazole-4-carboxamide (CID 56935763) is 1-methyl-N-[(2-propylphenyl)carbamothioyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(2-propylphenyl)carbamothioyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(2-propylphenyl)carbamothioyl]pyrazole-4-carboxamide is CCCc1ccccc1NC(=S)NC(=O)c1cnn(C)c1.
What is the InChIKey of 1-methyl-N-[(2-propylphenyl)carbamothioyl]pyrazole-4-carboxamide?
The InChIKey is BFDPNKGQHGOJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-3-6-11-7-4-5-8-13(11)17-15(21)18-14(20)12-9-16-19(2)10-12/h4-5,7-10H,3,6H2,1-2H3,(H2,17,18,20,21).
What are the key properties of 1-methyl-N-[(2-propylphenyl)carbamothioyl]pyrazole-4-carboxamide?
1-methyl-N-[(2-propylphenyl)carbamothioyl]pyrazole-4-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2-propylphenyl)carbamothioyl]pyrazole-4-carboxamide is sourced from PubChem (CID 56935763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).