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

C13H16N4O2 — CID 64524809

IUPAC3-amino-N-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2cc(N)n[nH]2)cc1
InChIInChI=1S/C13H16N4O2/c1-8(2)19-10-5-3-9(4-6-10)15-13(18)11-7-12(14)17-16-11/h3-8H,1-2H3,(H,15,18)(H3,14,16,17)
InChIKeySUOHJPBLNYLAED-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.03
Rot. Bonds4

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

3-amino-N-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 64524809) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-amino-N-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID64524809
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name3-amino-N-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2cc(N)n[nH]2)cc1
InChIInChI=1S/C13H16N4O2/c1-8(2)19-10-5-3-9(4-6-10)15-13(18)11-7-12(14)17-16-11/h3-8H,1-2H3,(H,15,18)(H3,14,16,17)
InChIKeySUOHJPBLNYLAED-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-propan-2-yloxyphenyl)-1H-pyrazole-4-carboxamide
CID 43337237
4-amino-N-(4-propan-2-yloxyphenyl)benzamide
CID 28722589
3-amino-N-[4-(2-hydroxyethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 64524679
3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-carboxamide
CID 64525284
3,5-dimethyl-N-(4-propan-2-yloxyphenyl)-1H-pyrazole-4-carboxamide
CID 43583048
2-amino-4-fluoro-N-(4-propan-2-yloxyphenyl)benzamide
CID 63109637
3-amino-N-[4-(cyclopropylcarbamoyl)phenyl]-1H-pyrazole-5-carboxamide
CID 64523459
3-N-(4-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109057469
4-(methylamino)-N-(4-propan-2-yloxyphenyl)benzamide
CID 62166478
2-amino-5-methyl-N-(4-propan-2-yloxyphenyl)benzamide
CID 62510532
4-amino-6-methyl-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 81238735
4-propan-2-yloxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154760

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide (CID 64524809) is 3-amino-N-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide is CC(C)Oc1ccc(NC(=O)c2cc(N)n[nH]2)cc1.
What is the InChIKey of 3-amino-N-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is SUOHJPBLNYLAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-8(2)19-10-5-3-9(4-6-10)15-13(18)11-7-12(14)17-16-11/h3-8H,1-2H3,(H,15,18)(H3,14,16,17).
What are the key properties of 3-amino-N-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide?
3-amino-N-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-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 3-amino-N-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64524809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).