1-methyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide

C18H23N5OS — CID 99933458

IUPAC1-methyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)N[C@H](C)Cc2cccs2)n(C)n1
InChIInChI=1S/C18H23N5OS/c1-11(9-14-7-6-8-25-14)19-18(24)16-10-15(21-23(16)5)17-12(2)20-22(4)13(17)3/h6-8,10-11H,9H2,1-5H3,(H,19,24)/t11-/m1/s1
InChIKeyKNMJBRJUVCEBQX-LLVKDONJSA-N
MW357.48 g/mol
LogP2.86
Rot. Bonds5

About 1-methyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide

1-methyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide (PubChem CID 99933458) has the molecular formula C18H23N5OS and a molecular weight of 357.48 g/mol. Its IUPAC name is 1-methyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide
PubChem CID99933458
Molecular FormulaC18H23N5OS
Molecular Weight357.48 g/mol
Exact Mass357.16
IUPAC Name1-methyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)N[C@H](C)Cc2cccs2)n(C)n1
InChIInChI=1S/C18H23N5OS/c1-11(9-14-7-6-8-25-14)19-18(24)16-10-15(21-23(16)5)17-12(2)20-22(4)13(17)3/h6-8,10-11H,9H2,1-5H3,(H,19,24)/t11-/m1/s1
InChIKeyKNMJBRJUVCEBQX-LLVKDONJSA-N
XLogP2.86
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 42762160
5-amino-1-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-carboxamide
CID 115330850
4,5-dibromo-N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide
CID 112726741
3-bromo-4-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79467456
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CID 77084387
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide
CID 99931226
6-oxo-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyridine-2-carboxamide
CID 107261945
3,4-dichloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 18711929
methane;N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 159530206
2-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
CID 103752713
N-(3,3-diphenylpropyl)-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide (CID 99933458) is 1-methyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide is Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@H](C)Cc2cccs2)n(C)n1.
What is the InChIKey of 1-methyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide?
The InChIKey is KNMJBRJUVCEBQX-LLVKDONJSA-N. The full InChI is InChI=1S/C18H23N5OS/c1-11(9-14-7-6-8-25-14)19-18(24)16-10-15(21-23(16)5)17-12(2)20-22(4)13(17)3/h6-8,10-11H,9H2,1-5H3,(H,19,24)/t11-/m1/s1.
What are the key properties of 1-methyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide?
1-methyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 99933458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).