N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-cyclopropylpropanamide

C10H14N4OS — CID 83155299

IUPACN-(4-carbamothioyl-1H-pyrazol-5-yl)-2-cyclopropylpropanamide
SMILESCC(C(=O)Nc1[nH]ncc1C(N)=S)C1CC1
InChIInChI=1S/C10H14N4OS/c1-5(6-2-3-6)10(15)13-9-7(8(11)16)4-12-14-9/h4-6H,2-3H2,1H3,(H2,11,16)(H2,12,13,14,15)
InChIKeyOCGZBBQRYMGHEP-UHFFFAOYSA-N
MW238.32 g/mol
LogP1.03
Rot. Bonds4

About N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-cyclopropylpropanamide

N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-cyclopropylpropanamide (PubChem CID 83155299) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-cyclopropylpropanamide.

Molecular Properties

Compound NameN-(4-carbamothioyl-1H-pyrazol-5-yl)-2-cyclopropylpropanamide
PubChem CID83155299
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC NameN-(4-carbamothioyl-1H-pyrazol-5-yl)-2-cyclopropylpropanamide
SMILESCC(C(=O)Nc1[nH]ncc1C(N)=S)C1CC1
InChIInChI=1S/C10H14N4OS/c1-5(6-2-3-6)10(15)13-9-7(8(11)16)4-12-14-9/h4-6H,2-3H2,1H3,(H2,11,16)(H2,12,13,14,15)
InChIKeyOCGZBBQRYMGHEP-UHFFFAOYSA-N
XLogP1.03
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-cyclopropylpropanamide?
The IUPAC name of N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-cyclopropylpropanamide (CID 83155299) is N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-cyclopropylpropanamide.
What is the SMILES notation for N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-cyclopropylpropanamide?
The canonical SMILES for N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-cyclopropylpropanamide is CC(C(=O)Nc1[nH]ncc1C(N)=S)C1CC1.
What is the InChIKey of N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-cyclopropylpropanamide?
The InChIKey is OCGZBBQRYMGHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-5(6-2-3-6)10(15)13-9-7(8(11)16)4-12-14-9/h4-6H,2-3H2,1H3,(H2,11,16)(H2,12,13,14,15).
What are the key properties of N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-cyclopropylpropanamide?
N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-cyclopropylpropanamide has a molecular weight of 238.32 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-cyclopropylpropanamide is sourced from PubChem (CID 83155299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).