N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1H-pyrazole-4-carboxamide

C11H14N4OS — CID 77090366

IUPACN-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1H-pyrazole-4-carboxamide
SMILESCc1ncsc1CCCNC(=O)c1cn[nH]c1
InChIInChI=1S/C11H14N4OS/c1-8-10(17-7-13-8)3-2-4-12-11(16)9-5-14-15-6-9/h5-7H,2-4H2,1H3,(H,12,16)(H,14,15)
InChIKeyCXTGDVBKHQENJF-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.54
Rot. Bonds5

About N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1H-pyrazole-4-carboxamide

N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1H-pyrazole-4-carboxamide (PubChem CID 77090366) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1H-pyrazole-4-carboxamide
PubChem CID77090366
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC NameN-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1H-pyrazole-4-carboxamide
SMILESCc1ncsc1CCCNC(=O)c1cn[nH]c1
InChIInChI=1S/C11H14N4OS/c1-8-10(17-7-13-8)3-2-4-12-11(16)9-5-14-15-6-9/h5-7H,2-4H2,1H3,(H,12,16)(H,14,15)
InChIKeyCXTGDVBKHQENJF-UHFFFAOYSA-N
XLogP1.54
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1H-pyrazole-4-carboxamide (CID 77090366) is N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1H-pyrazole-4-carboxamide is Cc1ncsc1CCCNC(=O)c1cn[nH]c1.
What is the InChIKey of N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1H-pyrazole-4-carboxamide?
The InChIKey is CXTGDVBKHQENJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-8-10(17-7-13-8)3-2-4-12-11(16)9-5-14-15-6-9/h5-7H,2-4H2,1H3,(H,12,16)(H,14,15).
What are the key properties of N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1H-pyrazole-4-carboxamide?
N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1H-pyrazole-4-carboxamide has a molecular weight of 250.33 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 77090366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).