4-amino-N-(5-chloro-2-propoxyphenyl)-1-methylpyrazole-3-carboxamide

C14H17ClN4O2 — CID 65354625

IUPAC4-amino-N-(5-chloro-2-propoxyphenyl)-1-methylpyrazole-3-carboxamide
SMILESCCCOc1ccc(Cl)cc1NC(=O)c1nn(C)cc1N
InChIInChI=1S/C14H17ClN4O2/c1-3-6-21-12-5-4-9(15)7-11(12)17-14(20)13-10(16)8-19(2)18-13/h4-5,7-8H,3,6,16H2,1-2H3,(H,17,20)
InChIKeyYQIHDDWVGSKTSO-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.70
Rot. Bonds5

About 4-amino-N-(5-chloro-2-propoxyphenyl)-1-methylpyrazole-3-carboxamide

4-amino-N-(5-chloro-2-propoxyphenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 65354625) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 4-amino-N-(5-chloro-2-propoxyphenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5-chloro-2-propoxyphenyl)-1-methylpyrazole-3-carboxamide
PubChem CID65354625
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name4-amino-N-(5-chloro-2-propoxyphenyl)-1-methylpyrazole-3-carboxamide
SMILESCCCOc1ccc(Cl)cc1NC(=O)c1nn(C)cc1N
InChIInChI=1S/C14H17ClN4O2/c1-3-6-21-12-5-4-9(15)7-11(12)17-14(20)13-10(16)8-19(2)18-13/h4-5,7-8H,3,6,16H2,1-2H3,(H,17,20)
InChIKeyYQIHDDWVGSKTSO-UHFFFAOYSA-N
XLogP2.70
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(5-chloro-2-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 65355117
4-amino-1-methyl-N-(4-propoxyphenyl)pyrazole-3-carboxamide
CID 65353904
4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 65355061
6-bromo-N-(5-chloro-2-propoxyphenyl)pyridine-3-carboxamide
CID 66462301
N-(5-chloro-2-propoxyphenyl)-6-fluoropyridine-2-carboxamide
CID 115496886
3-chloro-N-(5-chloro-2-propoxyphenyl)pyridine-4-carboxamide
CID 66462452
4-amino-N-(5-chloro-2-propoxyphenyl)butanamide
CID 54862408
3-bromo-N-(5-chloro-2-propoxyphenyl)benzamide
CID 63526145
N-(5-chloro-2-propoxyphenyl)-2-methoxyacetamide
CID 61062461
4-amino-N-(5-chloro-2-ethoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 61104697
N-(5-chloro-2-propoxyphenyl)-3-methylbut-2-enamide
CID 47310185
4-amino-N-(2-methoxy-4-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 65354104

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-chloro-2-propoxyphenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(5-chloro-2-propoxyphenyl)-1-methylpyrazole-3-carboxamide (CID 65354625) is 4-amino-N-(5-chloro-2-propoxyphenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(5-chloro-2-propoxyphenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(5-chloro-2-propoxyphenyl)-1-methylpyrazole-3-carboxamide is CCCOc1ccc(Cl)cc1NC(=O)c1nn(C)cc1N.
What is the InChIKey of 4-amino-N-(5-chloro-2-propoxyphenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is YQIHDDWVGSKTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-3-6-21-12-5-4-9(15)7-11(12)17-14(20)13-10(16)8-19(2)18-13/h4-5,7-8H,3,6,16H2,1-2H3,(H,17,20).
What are the key properties of 4-amino-N-(5-chloro-2-propoxyphenyl)-1-methylpyrazole-3-carboxamide?
4-amino-N-(5-chloro-2-propoxyphenyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 308.77 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-chloro-2-propoxyphenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 65354625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).