1-(3-amino-5-propan-2-yloxyphenyl)-N,N-dimethylpyrazole-3-carboxamide

C15H20N4O2 — CID 80752575

IUPAC1-(3-amino-5-propan-2-yloxyphenyl)-N,N-dimethylpyrazole-3-carboxamide
SMILESCC(C)Oc1cc(N)cc(-n2ccc(C(=O)N(C)C)n2)c1
InChIInChI=1S/C15H20N4O2/c1-10(2)21-13-8-11(16)7-12(9-13)19-6-5-14(17-19)15(20)18(3)4/h5-10H,16H2,1-4H3
InChIKeyMNLFSTMPPHFAIF-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.94
Rot. Bonds4

About 1-(3-amino-5-propan-2-yloxyphenyl)-N,N-dimethylpyrazole-3-carboxamide

1-(3-amino-5-propan-2-yloxyphenyl)-N,N-dimethylpyrazole-3-carboxamide (PubChem CID 80752575) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(3-amino-5-propan-2-yloxyphenyl)-N,N-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-amino-5-propan-2-yloxyphenyl)-N,N-dimethylpyrazole-3-carboxamide
PubChem CID80752575
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-(3-amino-5-propan-2-yloxyphenyl)-N,N-dimethylpyrazole-3-carboxamide
SMILESCC(C)Oc1cc(N)cc(-n2ccc(C(=O)N(C)C)n2)c1
InChIInChI=1S/C15H20N4O2/c1-10(2)21-13-8-11(16)7-12(9-13)19-6-5-14(17-19)15(20)18(3)4/h5-10H,16H2,1-4H3
InChIKeyMNLFSTMPPHFAIF-UHFFFAOYSA-N
XLogP1.94
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-propan-2-yloxyphenyl)-N,N-dimethylpyrazole-3-carboxamide?
The IUPAC name of 1-(3-amino-5-propan-2-yloxyphenyl)-N,N-dimethylpyrazole-3-carboxamide (CID 80752575) is 1-(3-amino-5-propan-2-yloxyphenyl)-N,N-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-amino-5-propan-2-yloxyphenyl)-N,N-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 1-(3-amino-5-propan-2-yloxyphenyl)-N,N-dimethylpyrazole-3-carboxamide is CC(C)Oc1cc(N)cc(-n2ccc(C(=O)N(C)C)n2)c1.
What is the InChIKey of 1-(3-amino-5-propan-2-yloxyphenyl)-N,N-dimethylpyrazole-3-carboxamide?
The InChIKey is MNLFSTMPPHFAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10(2)21-13-8-11(16)7-12(9-13)19-6-5-14(17-19)15(20)18(3)4/h5-10H,16H2,1-4H3.
What are the key properties of 1-(3-amino-5-propan-2-yloxyphenyl)-N,N-dimethylpyrazole-3-carboxamide?
1-(3-amino-5-propan-2-yloxyphenyl)-N,N-dimethylpyrazole-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-propan-2-yloxyphenyl)-N,N-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 80752575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).