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

C15H20N4O2 — CID 62329109

IUPAC3-amino-N-(3-butan-2-yloxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCCC(C)Oc1cccc(NC(=O)c2c(N)n[nH]c2C)c1
InChIInChI=1S/C15H20N4O2/c1-4-9(2)21-12-7-5-6-11(8-12)17-15(20)13-10(3)18-19-14(13)16/h5-9H,4H2,1-3H3,(H,17,20)(H3,16,18,19)
InChIKeyLQXVRXHZKGTIQT-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.73
Rot. Bonds5

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

3-amino-N-(3-butan-2-yloxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 62329109) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-amino-N-(3-butan-2-yloxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-butan-2-yloxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID62329109
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3-amino-N-(3-butan-2-yloxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCCC(C)Oc1cccc(NC(=O)c2c(N)n[nH]c2C)c1
InChIInChI=1S/C15H20N4O2/c1-4-9(2)21-12-7-5-6-11(8-12)17-15(20)13-10(3)18-19-14(13)16/h5-9H,4H2,1-3H3,(H,17,20)(H3,16,18,19)
InChIKeyLQXVRXHZKGTIQT-UHFFFAOYSA-N
XLogP2.73
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(3-butan-2-yloxyphenyl)pyridine-4-carboxamide
CID 105069782
2-amino-N-(3-butan-2-yloxyphenyl)pyridine-4-carboxamide
CID 62328427
3-amino-N-(3-butan-2-yloxyphenyl)propanamide
CID 62327879
methyl 4-[(3-butan-2-yloxyphenyl)carbamoyl]benzoate
CID 17178329
3-butan-2-yloxy-N-(3-methylphenyl)benzamide
CID 17149681
(2R)-2-amino-N-(3-butan-2-yloxyphenyl)-3-methylbutanamide
CID 79013272
3-amino-N-(3-butan-2-yloxyphenyl)-3-sulfanylidenepropanamide
CID 62329104
methyl 3-[(3-butan-2-yloxyphenyl)carbamoyl]benzoate
CID 17175369
N-(3-butan-2-yloxyphenyl)butanamide
CID 61394703
ethyl 3-[(5-methyl-3-propan-2-yl-1H-pyrazole-4-carbonyl)amino]benzoate
CID 75470319
3-amino-N-(3-bromo-5-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 82859958
2-(2-aminoethoxy)-N-(3-butan-2-yloxyphenyl)acetamide
CID 79479756

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-butan-2-yloxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-amino-N-(3-butan-2-yloxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide (CID 62329109) is 3-amino-N-(3-butan-2-yloxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-(3-butan-2-yloxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-N-(3-butan-2-yloxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide is CCC(C)Oc1cccc(NC(=O)c2c(N)n[nH]c2C)c1.
What is the InChIKey of 3-amino-N-(3-butan-2-yloxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is LQXVRXHZKGTIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-4-9(2)21-12-7-5-6-11(8-12)17-15(20)13-10(3)18-19-14(13)16/h5-9H,4H2,1-3H3,(H,17,20)(H3,16,18,19).
What are the key properties of 3-amino-N-(3-butan-2-yloxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide?
3-amino-N-(3-butan-2-yloxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 2.73, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-butan-2-yloxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 62329109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).