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

C12H16N4OS — CID 45179322

IUPAC1-ethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NC(C)c2nc(C)cs2)cn1
InChIInChI=1S/C12H16N4OS/c1-4-16-6-10(5-13-16)11(17)15-9(3)12-14-8(2)7-18-12/h5-7,9H,4H2,1-3H3,(H,15,17)
InChIKeyNRBHKPKWQKBICP-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.16
Rot. Bonds4

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

1-ethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrazole-4-carboxamide (PubChem CID 45179322) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-ethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrazole-4-carboxamide
PubChem CID45179322
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name1-ethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NC(C)c2nc(C)cs2)cn1
InChIInChI=1S/C12H16N4OS/c1-4-16-6-10(5-13-16)11(17)15-9(3)12-14-8(2)7-18-12/h5-7,9H,4H2,1-3H3,(H,15,17)
InChIKeyNRBHKPKWQKBICP-UHFFFAOYSA-N
XLogP2.16
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 19281043
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CID 95906713
3,4-dihydroxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
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2-(1-ethylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol
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CID 103570199
N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethylpyrazole-4-carboxamide
CID 125159643
1,1-diethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
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CID 82108654
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CID 114898569
2-(2-methoxyethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 103642136
ethyl 4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-4-oxobutanoate
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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrazole-4-carboxamide (CID 45179322) is 1-ethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrazole-4-carboxamide is CCn1cc(C(=O)NC(C)c2nc(C)cs2)cn1.
What is the InChIKey of 1-ethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrazole-4-carboxamide?
The InChIKey is NRBHKPKWQKBICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-4-16-6-10(5-13-16)11(17)15-9(3)12-14-8(2)7-18-12/h5-7,9H,4H2,1-3H3,(H,15,17).
What are the key properties of 1-ethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrazole-4-carboxamide?
1-ethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrazole-4-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 45179322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).