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

C16H24N4OS — CID 97060197

IUPAC1-ethyl-N-methyl-N-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)N(C)[C@H](C)c2sc(C(C)C)nc2C)cn1
InChIInChI=1S/C16H24N4OS/c1-7-20-9-13(8-17-20)16(21)19(6)12(5)14-11(4)18-15(22-14)10(2)3/h8-10,12H,7H2,1-6H3/t12-/m1/s1
InChIKeyOLYYRXKDIKMNKU-GFCCVEGCSA-N
MW320.46 g/mol
LogP3.62
Rot. Bonds5

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

1-ethyl-N-methyl-N-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]pyrazole-4-carboxamide (PubChem CID 97060197) has the molecular formula C16H24N4OS and a molecular weight of 320.46 g/mol. Its IUPAC name is 1-ethyl-N-methyl-N-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-methyl-N-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]pyrazole-4-carboxamide
PubChem CID97060197
Molecular FormulaC16H24N4OS
Molecular Weight320.46 g/mol
Exact Mass320.17
IUPAC Name1-ethyl-N-methyl-N-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)N(C)[C@H](C)c2sc(C(C)C)nc2C)cn1
InChIInChI=1S/C16H24N4OS/c1-7-20-9-13(8-17-20)16(21)19(6)12(5)14-11(4)18-15(22-14)10(2)3/h8-10,12H,7H2,1-6H3/t12-/m1/s1
InChIKeyOLYYRXKDIKMNKU-GFCCVEGCSA-N
XLogP3.62
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,2,4-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 31851771
N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 45819799
(2-Ethyl-4-methyl-1,3-thiazol-5-yl)-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53562014
(2,4-Dimethyl-1,3-thiazol-5-yl)-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53565270
(2,4-Dimethyl-1,3-thiazol-5-yl)-[4-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53575282
1-isopropyl-N-(2-{2-[(methylthio)methyl]-1,3-thiazol-4-yl}ethyl)-1H-pyrazole-4-carboxamide
CID 70740047
1-[3-(4,5-Dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
CID 72125193
(1-Ethylpyrazol-4-yl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 72134789
(2-Methyl-1,3-thiazol-5-yl)-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 72143518
2-isopropyl-N,4-dimethyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-1,3-thiazole-5-carboxamide
CID 72878755
N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 45823403
1-tert-butyl-5-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-carboxamide
CID 47870942

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-methyl-N-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-methyl-N-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]pyrazole-4-carboxamide (CID 97060197) is 1-ethyl-N-methyl-N-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-methyl-N-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-methyl-N-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]pyrazole-4-carboxamide is CCn1cc(C(=O)N(C)[C@H](C)c2sc(C(C)C)nc2C)cn1.
What is the InChIKey of 1-ethyl-N-methyl-N-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]pyrazole-4-carboxamide?
The InChIKey is OLYYRXKDIKMNKU-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24N4OS/c1-7-20-9-13(8-17-20)16(21)19(6)12(5)14-11(4)18-15(22-14)10(2)3/h8-10,12H,7H2,1-6H3/t12-/m1/s1.
What are the key properties of 1-ethyl-N-methyl-N-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]pyrazole-4-carboxamide?
1-ethyl-N-methyl-N-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]pyrazole-4-carboxamide has a molecular weight of 320.46 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-methyl-N-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 97060197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).