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

C14H18N4O2S — CID 128970626

IUPAC1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide
SMILESCc1nc(CNC(=O)c2cn(C)nc2C2CCOC2)cs1
InChIInChI=1S/C14H18N4O2S/c1-9-16-11(8-21-9)5-15-14(19)12-6-18(2)17-13(12)10-3-4-20-7-10/h6,8,10H,3-5,7H2,1-2H3,(H,15,19)
InChIKeyIJHCAKBHTDIKBR-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.62
Rot. Bonds4

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

1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide (PubChem CID 128970626) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide
PubChem CID128970626
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide
SMILESCc1nc(CNC(=O)c2cn(C)nc2C2CCOC2)cs1
InChIInChI=1S/C14H18N4O2S/c1-9-16-11(8-21-9)5-15-14(19)12-6-18(2)17-13(12)10-3-4-20-7-10/h6,8,10H,3-5,7H2,1-2H3,(H,15,19)
InChIKeyIJHCAKBHTDIKBR-UHFFFAOYSA-N
XLogP1.62
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide (CID 128970626) is 1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide is Cc1nc(CNC(=O)c2cn(C)nc2C2CCOC2)cs1.
What is the InChIKey of 1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide?
The InChIKey is IJHCAKBHTDIKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-9-16-11(8-21-9)5-15-14(19)12-6-18(2)17-13(12)10-3-4-20-7-10/h6,8,10H,3-5,7H2,1-2H3,(H,15,19).
What are the key properties of 1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide?
1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 128970626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).