5-methyl-1-propyl-N-[1-(1,3-thiazol-5-yl)propan-2-yl]pyrazole-4-carboxamide

C14H20N4OS — CID 72856587

IUPAC5-methyl-1-propyl-N-[1-(1,3-thiazol-5-yl)propan-2-yl]pyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NC(C)Cc2cncs2)c1C
InChIInChI=1S/C14H20N4OS/c1-4-5-18-11(3)13(8-16-18)14(19)17-10(2)6-12-7-15-9-20-12/h7-10H,4-6H2,1-3H3,(H,17,19)
InChIKeyJGZUMANVIDSCAG-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.42
Rot. Bonds6

About 5-methyl-1-propyl-N-[1-(1,3-thiazol-5-yl)propan-2-yl]pyrazole-4-carboxamide

5-methyl-1-propyl-N-[1-(1,3-thiazol-5-yl)propan-2-yl]pyrazole-4-carboxamide (PubChem CID 72856587) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 5-methyl-1-propyl-N-[1-(1,3-thiazol-5-yl)propan-2-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-propyl-N-[1-(1,3-thiazol-5-yl)propan-2-yl]pyrazole-4-carboxamide
PubChem CID72856587
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name5-methyl-1-propyl-N-[1-(1,3-thiazol-5-yl)propan-2-yl]pyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NC(C)Cc2cncs2)c1C
InChIInChI=1S/C14H20N4OS/c1-4-5-18-11(3)13(8-16-18)14(19)17-10(2)6-12-7-15-9-20-12/h7-10H,4-6H2,1-3H3,(H,17,19)
InChIKeyJGZUMANVIDSCAG-UHFFFAOYSA-N
XLogP2.42
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-propyl-N-[1-(1,3-thiazol-5-yl)propan-2-yl]pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-1-propyl-N-[1-(1,3-thiazol-5-yl)propan-2-yl]pyrazole-4-carboxamide (CID 72856587) is 5-methyl-1-propyl-N-[1-(1,3-thiazol-5-yl)propan-2-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-propyl-N-[1-(1,3-thiazol-5-yl)propan-2-yl]pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-propyl-N-[1-(1,3-thiazol-5-yl)propan-2-yl]pyrazole-4-carboxamide is CCCn1ncc(C(=O)NC(C)Cc2cncs2)c1C.
What is the InChIKey of 5-methyl-1-propyl-N-[1-(1,3-thiazol-5-yl)propan-2-yl]pyrazole-4-carboxamide?
The InChIKey is JGZUMANVIDSCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-4-5-18-11(3)13(8-16-18)14(19)17-10(2)6-12-7-15-9-20-12/h7-10H,4-6H2,1-3H3,(H,17,19).
What are the key properties of 5-methyl-1-propyl-N-[1-(1,3-thiazol-5-yl)propan-2-yl]pyrazole-4-carboxamide?
5-methyl-1-propyl-N-[1-(1,3-thiazol-5-yl)propan-2-yl]pyrazole-4-carboxamide has a molecular weight of 292.41 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-propyl-N-[1-(1,3-thiazol-5-yl)propan-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 72856587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).