N-(5-methyl-1,3-thiazol-2-yl)-2-propylpyrazole-3-carboxamide

C11H14N4OS — CID 35522280

IUPACN-(5-methyl-1,3-thiazol-2-yl)-2-propylpyrazole-3-carboxamide
SMILESCCCn1nccc1C(=O)Nc1ncc(C)s1
InChIInChI=1S/C11H14N4OS/c1-3-6-15-9(4-5-13-15)10(16)14-11-12-7-8(2)17-11/h4-5,7H,3,6H2,1-2H3,(H,12,14,16)
InChIKeySEKADGYALZBWHX-UHFFFAOYSA-N
MW250.33 g/mol
LogP2.31
Rot. Bonds4

About N-(5-methyl-1,3-thiazol-2-yl)-2-propylpyrazole-3-carboxamide

N-(5-methyl-1,3-thiazol-2-yl)-2-propylpyrazole-3-carboxamide (PubChem CID 35522280) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-2-propylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-2-propylpyrazole-3-carboxamide
PubChem CID35522280
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-2-propylpyrazole-3-carboxamide
SMILESCCCn1nccc1C(=O)Nc1ncc(C)s1
InChIInChI=1S/C11H14N4OS/c1-3-6-15-9(4-5-13-15)10(16)14-11-12-7-8(2)17-11/h4-5,7H,3,6H2,1-2H3,(H,12,14,16)
InChIKeySEKADGYALZBWHX-UHFFFAOYSA-N
XLogP2.31
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-propylpyrazole-3-carboxamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-propylpyrazole-3-carboxamide (CID 35522280) is N-(5-methyl-1,3-thiazol-2-yl)-2-propylpyrazole-3-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-2-propylpyrazole-3-carboxamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-2-propylpyrazole-3-carboxamide is CCCn1nccc1C(=O)Nc1ncc(C)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-2-propylpyrazole-3-carboxamide?
The InChIKey is SEKADGYALZBWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-3-6-15-9(4-5-13-15)10(16)14-11-12-7-8(2)17-11/h4-5,7H,3,6H2,1-2H3,(H,12,14,16).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-2-propylpyrazole-3-carboxamide?
N-(5-methyl-1,3-thiazol-2-yl)-2-propylpyrazole-3-carboxamide has a molecular weight of 250.33 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-2-propylpyrazole-3-carboxamide is sourced from PubChem (CID 35522280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).