5-(3-chloro-4-ethoxyphenyl)-N-methyl-1H-pyrazol-3-amine

C12H14ClN3O — CID 116827239

IUPAC5-(3-chloro-4-ethoxyphenyl)-N-methyl-1H-pyrazol-3-amine
SMILESCCOc1ccc(-c2cc(NC)n[nH]2)cc1Cl
InChIInChI=1S/C12H14ClN3O/c1-3-17-11-5-4-8(6-9(11)13)10-7-12(14-2)16-15-10/h4-7H,3H2,1-2H3,(H2,14,15,16)
InChIKeyLOGHTYDWBACUSS-UHFFFAOYSA-N
MW251.72 g/mol
LogP3.17
Rot. Bonds4

About 5-(3-chloro-4-ethoxyphenyl)-N-methyl-1H-pyrazol-3-amine

5-(3-chloro-4-ethoxyphenyl)-N-methyl-1H-pyrazol-3-amine (PubChem CID 116827239) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 5-(3-chloro-4-ethoxyphenyl)-N-methyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-chloro-4-ethoxyphenyl)-N-methyl-1H-pyrazol-3-amine
PubChem CID116827239
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name5-(3-chloro-4-ethoxyphenyl)-N-methyl-1H-pyrazol-3-amine
SMILESCCOc1ccc(-c2cc(NC)n[nH]2)cc1Cl
InChIInChI=1S/C12H14ClN3O/c1-3-17-11-5-4-8(6-9(11)13)10-7-12(14-2)16-15-10/h4-7H,3H2,1-2H3,(H2,14,15,16)
InChIKeyLOGHTYDWBACUSS-UHFFFAOYSA-N
XLogP3.17
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-ethyl-4-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine
CID 116827233
5-(3,4-dimethoxyphenyl)-N-methyl-1H-pyrazol-3-amine
CID 63047414
5-(3-chloro-4-ethoxyphenyl)-2-methoxy-1H-imidazole
CID 116883702
4-(3-chloro-4-ethoxyphenyl)-1,3-dihydroimidazol-2-one
CID 116879693
5-(3,4-dichlorophenyl)-N-ethyl-1H-pyrazol-3-amine
CID 63047423
5-(3,4-dichlorophenyl)-N-propyl-1H-pyrazol-3-amine
CID 63529596
4-chloro-6-(3-chloro-4-ethoxyphenyl)pyrimidine
CID 24902174
6-(3-chloro-4-ethoxyphenyl)-N-methyl-1,2,4-triazin-5-amine
CID 116823171
2-chloro-4-(3-chloro-4-ethoxyphenyl)pyridine
CID 164891716
3-chloro-5-(3-chloro-4-ethoxyphenyl)-1,2,4-triazine
CID 96667491
N-[[5-(3-chloro-4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(furan-2-yl)methanamine
CID 126456922
5-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-carbaldehyde
CID 976021

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-ethoxyphenyl)-N-methyl-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-chloro-4-ethoxyphenyl)-N-methyl-1H-pyrazol-3-amine (CID 116827239) is 5-(3-chloro-4-ethoxyphenyl)-N-methyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-chloro-4-ethoxyphenyl)-N-methyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-chloro-4-ethoxyphenyl)-N-methyl-1H-pyrazol-3-amine is CCOc1ccc(-c2cc(NC)n[nH]2)cc1Cl.
What is the InChIKey of 5-(3-chloro-4-ethoxyphenyl)-N-methyl-1H-pyrazol-3-amine?
The InChIKey is LOGHTYDWBACUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-3-17-11-5-4-8(6-9(11)13)10-7-12(14-2)16-15-10/h4-7H,3H2,1-2H3,(H2,14,15,16).
What are the key properties of 5-(3-chloro-4-ethoxyphenyl)-N-methyl-1H-pyrazol-3-amine?
5-(3-chloro-4-ethoxyphenyl)-N-methyl-1H-pyrazol-3-amine has a molecular weight of 251.72 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-ethoxyphenyl)-N-methyl-1H-pyrazol-3-amine is sourced from PubChem (CID 116827239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).