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

C14H18N4O2S — CID 128972699

IUPACN-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide
SMILESCc1nc(CN(C)C(=O)c2cn[nH]c2C2CCOC2)cs1
InChIInChI=1S/C14H18N4O2S/c1-9-16-11(8-21-9)6-18(2)14(19)12-5-15-17-13(12)10-3-4-20-7-10/h5,8,10H,3-4,6-7H2,1-2H3,(H,15,17)
InChIKeyAFKURZNTTXKXFK-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.95
Rot. Bonds4

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

N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide (PubChem CID 128972699) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide
PubChem CID128972699
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide
SMILESCc1nc(CN(C)C(=O)c2cn[nH]c2C2CCOC2)cs1
InChIInChI=1S/C14H18N4O2S/c1-9-16-11(8-21-9)6-18(2)14(19)12-5-15-17-13(12)10-3-4-20-7-10/h5,8,10H,3-4,6-7H2,1-2H3,(H,15,17)
InChIKeyAFKURZNTTXKXFK-UHFFFAOYSA-N
XLogP1.95
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide (CID 128972699) is N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide is Cc1nc(CN(C)C(=O)c2cn[nH]c2C2CCOC2)cs1.
What is the InChIKey of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is AFKURZNTTXKXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-9-16-11(8-21-9)6-18(2)14(19)12-5-15-17-13(12)10-3-4-20-7-10/h5,8,10H,3-4,6-7H2,1-2H3,(H,15,17).
What are the key properties of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide?
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 128972699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).