3,5-dimethyl-N-(2-propan-2-yloxyphenyl)-1H-pyrazole-4-carboxamide

C15H19N3O2 — CID 61258324

IUPAC3,5-dimethyl-N-(2-propan-2-yloxyphenyl)-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)Nc1ccccc1OC(C)C
InChIInChI=1S/C15H19N3O2/c1-9(2)20-13-8-6-5-7-12(13)16-15(19)14-10(3)17-18-11(14)4/h5-9H,1-4H3,(H,16,19)(H,17,18)
InChIKeyCDGUAYFNLOPVNE-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.07
Rot. Bonds4

About 3,5-dimethyl-N-(2-propan-2-yloxyphenyl)-1H-pyrazole-4-carboxamide

3,5-dimethyl-N-(2-propan-2-yloxyphenyl)-1H-pyrazole-4-carboxamide (PubChem CID 61258324) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2-propan-2-yloxyphenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(2-propan-2-yloxyphenyl)-1H-pyrazole-4-carboxamide
PubChem CID61258324
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3,5-dimethyl-N-(2-propan-2-yloxyphenyl)-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)Nc1ccccc1OC(C)C
InChIInChI=1S/C15H19N3O2/c1-9(2)20-13-8-6-5-7-12(13)16-15(19)14-10(3)17-18-11(14)4/h5-9H,1-4H3,(H,16,19)(H,17,18)
InChIKeyCDGUAYFNLOPVNE-UHFFFAOYSA-N
XLogP3.07
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 112999052
3,5-dimethyl-N-(4-propan-2-yloxyphenyl)-1H-pyrazole-4-carboxamide
CID 43583048
N-[2-(aminomethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 64882712
5-oxo-N-(2-propan-2-yloxyphenyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136832112
N-(2-propan-2-yloxyphenyl)-2H-triazole-4-carboxamide
CID 47370046
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298
5-methyl-N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 38999572
1-N-phenyl-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109049242
3-methyl-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150877
6-N-propan-2-yl-2-N-(2-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide
CID 109093744
N-(1H-indazol-7-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61260102
4-methyl-N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 110860342

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2-propan-2-yloxyphenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(2-propan-2-yloxyphenyl)-1H-pyrazole-4-carboxamide (CID 61258324) is 3,5-dimethyl-N-(2-propan-2-yloxyphenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(2-propan-2-yloxyphenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(2-propan-2-yloxyphenyl)-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)Nc1ccccc1OC(C)C.
What is the InChIKey of 3,5-dimethyl-N-(2-propan-2-yloxyphenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is CDGUAYFNLOPVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-9(2)20-13-8-6-5-7-12(13)16-15(19)14-10(3)17-18-11(14)4/h5-9H,1-4H3,(H,16,19)(H,17,18).
What are the key properties of 3,5-dimethyl-N-(2-propan-2-yloxyphenyl)-1H-pyrazole-4-carboxamide?
3,5-dimethyl-N-(2-propan-2-yloxyphenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2-propan-2-yloxyphenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 61258324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).