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

C14H18N4O2S — CID 128968344

IUPACN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide
SMILESCCc1nc(CNC(=O)c2cn[nH]c2C2CCOC2)cs1
InChIInChI=1S/C14H18N4O2S/c1-2-12-17-10(8-21-12)5-15-14(19)11-6-16-18-13(11)9-3-4-20-7-9/h6,8-9H,2-5,7H2,1H3,(H,15,19)(H,16,18)
InChIKeyLPILKZILVJYPMS-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.86
Rot. Bonds5

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

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide (PubChem CID 128968344) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide
PubChem CID128968344
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide
SMILESCCc1nc(CNC(=O)c2cn[nH]c2C2CCOC2)cs1
InChIInChI=1S/C14H18N4O2S/c1-2-12-17-10(8-21-12)5-15-14(19)11-6-16-18-13(11)9-3-4-20-7-9/h6,8-9H,2-5,7H2,1H3,(H,15,19)(H,16,18)
InChIKeyLPILKZILVJYPMS-UHFFFAOYSA-N
XLogP1.86
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide (CID 128968344) is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide is CCc1nc(CNC(=O)c2cn[nH]c2C2CCOC2)cs1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is LPILKZILVJYPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-2-12-17-10(8-21-12)5-15-14(19)11-6-16-18-13(11)9-3-4-20-7-9/h6,8-9H,2-5,7H2,1H3,(H,15,19)(H,16,18).
What are the key properties of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide?
N-[(2-ethyl-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 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 128968344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).