4-(2,4-dichlorophenyl)-3-(2,2-dimethylcyclopropyl)-1-methylpyrazol-5-amine

C15H17Cl2N3 — CID 107001722

IUPAC4-(2,4-dichlorophenyl)-3-(2,2-dimethylcyclopropyl)-1-methylpyrazol-5-amine
SMILESCn1nc(C2CC2(C)C)c(-c2ccc(Cl)cc2Cl)c1N
InChIInChI=1S/C15H17Cl2N3/c1-15(2)7-10(15)13-12(14(18)20(3)19-13)9-5-4-8(16)6-11(9)17/h4-6,10H,7,18H2,1-3H3
InChIKeyBZJNPPHNSGMHDF-UHFFFAOYSA-N
MW310.23 g/mol
LogP4.49
Rot. Bonds2

About 4-(2,4-dichlorophenyl)-3-(2,2-dimethylcyclopropyl)-1-methylpyrazol-5-amine

4-(2,4-dichlorophenyl)-3-(2,2-dimethylcyclopropyl)-1-methylpyrazol-5-amine (PubChem CID 107001722) has the molecular formula C15H17Cl2N3 and a molecular weight of 310.23 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-3-(2,2-dimethylcyclopropyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-3-(2,2-dimethylcyclopropyl)-1-methylpyrazol-5-amine
PubChem CID107001722
Molecular FormulaC15H17Cl2N3
Molecular Weight310.23 g/mol
Exact Mass309.08
IUPAC Name4-(2,4-dichlorophenyl)-3-(2,2-dimethylcyclopropyl)-1-methylpyrazol-5-amine
SMILESCn1nc(C2CC2(C)C)c(-c2ccc(Cl)cc2Cl)c1N
InChIInChI=1S/C15H17Cl2N3/c1-15(2)7-10(15)13-12(14(18)20(3)19-13)9-5-4-8(16)6-11(9)17/h4-6,10H,7,18H2,1-3H3
InChIKeyBZJNPPHNSGMHDF-UHFFFAOYSA-N
XLogP4.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,4-dichlorophenyl)-1-methyl-3-pentan-3-ylpyrazol-5-amine
CID 43158669
4-(2,4-dichlorophenyl)-3-(2-methoxyethyl)-1-methylpyrazol-5-amine
CID 43336534
4-(2,4-dichlorophenyl)-3-(2,2-dimethylcyclopentyl)-1,2-oxazol-5-amine
CID 107179712
4-(3-chlorophenyl)-3-cyclopropyl-1-methylpyrazol-5-amine
CID 43158522
4-(2,4-dichlorophenyl)-5-(2,2-dimethylcyclopentyl)-1,2-oxazol-3-amine
CID 107185949
5-(2,2-dimethylcyclopropyl)-2-methyl-4-propylpyrazol-3-amine
CID 107001768
4-(cyclopropylmethyl)-5-(2,4-dichlorophenyl)-1,3-dimethylpyrazole
CID 91244918
3-(2,5-dichlorophenyl)-1,4-dimethylpyrazol-5-amine
CID 43158813
5-(2,4-dichlorophenyl)-3-propylimidazol-4-amine
CID 62018478
4-(2-chloro-4-fluorophenyl)-1-methyl-3-(2-methylpropyl)pyrazol-5-amine
CID 55143798
4-chloro-2-(2,4-dichlorophenyl)aniline
CID 81274576
3-cyclopentyl-4-(2,4-dichlorophenyl)-1,2-oxazol-5-amine
CID 43335969

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-3-(2,2-dimethylcyclopropyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(2,4-dichlorophenyl)-3-(2,2-dimethylcyclopropyl)-1-methylpyrazol-5-amine (CID 107001722) is 4-(2,4-dichlorophenyl)-3-(2,2-dimethylcyclopropyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-3-(2,2-dimethylcyclopropyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(2,4-dichlorophenyl)-3-(2,2-dimethylcyclopropyl)-1-methylpyrazol-5-amine is Cn1nc(C2CC2(C)C)c(-c2ccc(Cl)cc2Cl)c1N.
What is the InChIKey of 4-(2,4-dichlorophenyl)-3-(2,2-dimethylcyclopropyl)-1-methylpyrazol-5-amine?
The InChIKey is BZJNPPHNSGMHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3/c1-15(2)7-10(15)13-12(14(18)20(3)19-13)9-5-4-8(16)6-11(9)17/h4-6,10H,7,18H2,1-3H3.
What are the key properties of 4-(2,4-dichlorophenyl)-3-(2,2-dimethylcyclopropyl)-1-methylpyrazol-5-amine?
4-(2,4-dichlorophenyl)-3-(2,2-dimethylcyclopropyl)-1-methylpyrazol-5-amine has a molecular weight of 310.23 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-3-(2,2-dimethylcyclopropyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 107001722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).