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

C15H20N4O2S — CID 128992148

IUPAC1-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide
SMILESCc1cnc(C(C)NC(=O)c2cn(C)nc2C2CCOC2)s1
InChIInChI=1S/C15H20N4O2S/c1-9-6-16-15(22-9)10(2)17-14(20)12-7-19(3)18-13(12)11-4-5-21-8-11/h6-7,10-11H,4-5,8H2,1-3H3,(H,17,20)
InChIKeyTWUYQSOEMHZACI-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.18
Rot. Bonds4

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

1-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide (PubChem CID 128992148) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 1-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide
PubChem CID128992148
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name1-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide
SMILESCc1cnc(C(C)NC(=O)c2cn(C)nc2C2CCOC2)s1
InChIInChI=1S/C15H20N4O2S/c1-9-6-16-15(22-9)10(2)17-14(20)12-7-19(3)18-13(12)11-4-5-21-8-11/h6-7,10-11H,4-5,8H2,1-3H3,(H,17,20)
InChIKeyTWUYQSOEMHZACI-UHFFFAOYSA-N
XLogP2.18
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide (CID 128992148) is 1-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide is Cc1cnc(C(C)NC(=O)c2cn(C)nc2C2CCOC2)s1.
What is the InChIKey of 1-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide?
The InChIKey is TWUYQSOEMHZACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-9-6-16-15(22-9)10(2)17-14(20)12-7-19(3)18-13(12)11-4-5-21-8-11/h6-7,10-11H,4-5,8H2,1-3H3,(H,17,20).
What are the key properties of 1-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide?
1-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide has a molecular weight of 320.42 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 128992148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).