5-amino-N-(4-propan-2-yloxyphenyl)-1H-pyrazole-4-carboxamide

C13H16N4O2 — CID 43337237

IUPAC5-amino-N-(4-propan-2-yloxyphenyl)-1H-pyrazole-4-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2cn[nH]c2N)cc1
InChIInChI=1S/C13H16N4O2/c1-8(2)19-10-5-3-9(4-6-10)16-13(18)11-7-15-17-12(11)14/h3-8H,1-2H3,(H,16,18)(H3,14,15,17)
InChIKeyHSELPMOFBVZFRY-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.03
Rot. Bonds4

About 5-amino-N-(4-propan-2-yloxyphenyl)-1H-pyrazole-4-carboxamide

5-amino-N-(4-propan-2-yloxyphenyl)-1H-pyrazole-4-carboxamide (PubChem CID 43337237) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-amino-N-(4-propan-2-yloxyphenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-propan-2-yloxyphenyl)-1H-pyrazole-4-carboxamide
PubChem CID43337237
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name5-amino-N-(4-propan-2-yloxyphenyl)-1H-pyrazole-4-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2cn[nH]c2N)cc1
InChIInChI=1S/C13H16N4O2/c1-8(2)19-10-5-3-9(4-6-10)16-13(18)11-7-15-17-12(11)14/h3-8H,1-2H3,(H,16,18)(H3,14,15,17)
InChIKeyHSELPMOFBVZFRY-UHFFFAOYSA-N
XLogP2.03
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-(4-tert-butylphenyl)-1H-pyrazole-4-carboxamide
CID 43337152
5-amino-N-(4-iodophenyl)-1H-pyrazole-4-carboxamide
CID 43159637
3-amino-N-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide
CID 64524809
4-amino-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 81235962
4-amino-6-methyl-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 81238735
2-amino-5-methyl-N-(4-propan-2-yloxyphenyl)benzamide
CID 62510532
4-amino-N-(4-propan-2-yloxyphenyl)benzamide
CID 28722589
2-amino-4-fluoro-N-(4-propan-2-yloxyphenyl)benzamide
CID 63109637
3-fluoro-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 115645942
methyl 3-[4-[(5-propan-2-yl-1H-pyrazole-4-carbonyl)amino]phenyl]butanoate
CID 119035906
6-hydrazinyl-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 62241267
3,5-dimethyl-N-(4-propan-2-yloxyphenyl)-1H-pyrazole-4-carboxamide
CID 43583048

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-propan-2-yloxyphenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(4-propan-2-yloxyphenyl)-1H-pyrazole-4-carboxamide (CID 43337237) is 5-amino-N-(4-propan-2-yloxyphenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(4-propan-2-yloxyphenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(4-propan-2-yloxyphenyl)-1H-pyrazole-4-carboxamide is CC(C)Oc1ccc(NC(=O)c2cn[nH]c2N)cc1.
What is the InChIKey of 5-amino-N-(4-propan-2-yloxyphenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is HSELPMOFBVZFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-8(2)19-10-5-3-9(4-6-10)16-13(18)11-7-15-17-12(11)14/h3-8H,1-2H3,(H,16,18)(H3,14,15,17).
What are the key properties of 5-amino-N-(4-propan-2-yloxyphenyl)-1H-pyrazole-4-carboxamide?
5-amino-N-(4-propan-2-yloxyphenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-propan-2-yloxyphenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43337237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).