5-propan-2-yl-N-[(1R)-1-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide

C13H17N3OS — CID 51958919

IUPAC5-propan-2-yl-N-[(1R)-1-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)N[C@H](C)c2cccs2)n[nH]1
InChIInChI=1S/C13H17N3OS/c1-8(2)10-7-11(16-15-10)13(17)14-9(3)12-5-4-6-18-12/h4-9H,1-3H3,(H,14,17)(H,15,16)/t9-/m1/s1
InChIKeyWCQUXEZFPMFGRW-SECBINFHSA-N
MW263.37 g/mol
LogP3.09
Rot. Bonds4

About 5-propan-2-yl-N-[(1R)-1-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide

5-propan-2-yl-N-[(1R)-1-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide (PubChem CID 51958919) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 5-propan-2-yl-N-[(1R)-1-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-propan-2-yl-N-[(1R)-1-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide
PubChem CID51958919
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name5-propan-2-yl-N-[(1R)-1-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)N[C@H](C)c2cccs2)n[nH]1
InChIInChI=1S/C13H17N3OS/c1-8(2)10-7-11(16-15-10)13(17)14-9(3)12-5-4-6-18-12/h4-9H,1-3H3,(H,14,17)(H,15,16)/t9-/m1/s1
InChIKeyWCQUXEZFPMFGRW-SECBINFHSA-N
XLogP3.09
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-[(1R)-1-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-propan-2-yl-N-[(1R)-1-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide (CID 51958919) is 5-propan-2-yl-N-[(1R)-1-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-propan-2-yl-N-[(1R)-1-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-propan-2-yl-N-[(1R)-1-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide is CC(C)c1cc(C(=O)N[C@H](C)c2cccs2)n[nH]1.
What is the InChIKey of 5-propan-2-yl-N-[(1R)-1-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is WCQUXEZFPMFGRW-SECBINFHSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-8(2)10-7-11(16-15-10)13(17)14-9(3)12-5-4-6-18-12/h4-9H,1-3H3,(H,14,17)(H,15,16)/t9-/m1/s1.
What are the key properties of 5-propan-2-yl-N-[(1R)-1-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide?
5-propan-2-yl-N-[(1R)-1-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 263.37 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-[(1R)-1-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 51958919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).