4-(2,4-dichlorophenyl)-5-propyl-1H-pyrazol-3-amine

C12H13Cl2N3 — CID 43157641

IUPAC4-(2,4-dichlorophenyl)-5-propyl-1H-pyrazol-3-amine
SMILESCCCc1[nH]nc(N)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H13Cl2N3/c1-2-3-10-11(12(15)17-16-10)8-5-4-7(13)6-9(8)14/h4-6H,2-3H2,1H3,(H3,15,16,17)
InChIKeyXMVQSVBVXJNHGO-UHFFFAOYSA-N
MW270.16 g/mol
LogP3.92
Rot. Bonds3

About 4-(2,4-dichlorophenyl)-5-propyl-1H-pyrazol-3-amine

4-(2,4-dichlorophenyl)-5-propyl-1H-pyrazol-3-amine (PubChem CID 43157641) has the molecular formula C12H13Cl2N3 and a molecular weight of 270.16 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-5-propyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-5-propyl-1H-pyrazol-3-amine
PubChem CID43157641
Molecular FormulaC12H13Cl2N3
Molecular Weight270.16 g/mol
Exact Mass269.05
IUPAC Name4-(2,4-dichlorophenyl)-5-propyl-1H-pyrazol-3-amine
SMILESCCCc1[nH]nc(N)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H13Cl2N3/c1-2-3-10-11(12(15)17-16-10)8-5-4-7(13)6-9(8)14/h4-6H,2-3H2,1H3,(H3,15,16,17)
InChIKeyXMVQSVBVXJNHGO-UHFFFAOYSA-N
XLogP3.92
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-butyl-4-(4-chlorophenyl)-1H-pyrazol-3-amine
CID 43157539
5-(2,4-dichlorophenyl)-6-ethylpyrimidine-2,4-diamine
CID 10902094
4-(2,4-dichlorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine
CID 114821028
5-propyl-4-pyridin-2-yl-1H-pyrazol-3-amine
CID 80521270
4-(2,4-dichlorophenyl)-5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-amine
CID 106753135
5-(2,4-dichlorophenyl)-2-methyl-1H-imidazol-4-amine
CID 82477662
2,6-bis(2,4-dichlorophenyl)pyridin-4-amine
CID 133087176
3-(2,4-dichlorophenyl)-5-ethyl-1H-1,2,4-triazole
CID 61278120
4-amino-N-(2,4-dichlorophenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 62075125
4-(2-fluorophenyl)-5-heptyl-1H-pyrazol-3-amine
CID 63525723
5-(2,4-dichlorophenyl)-2-methyl-1,3-thiazol-4-amine
CID 82483791
3-chloro-4-(5-propyl-1H-1,2,4-triazol-3-yl)aniline
CID 61399022

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-5-propyl-1H-pyrazol-3-amine?
The IUPAC name of 4-(2,4-dichlorophenyl)-5-propyl-1H-pyrazol-3-amine (CID 43157641) is 4-(2,4-dichlorophenyl)-5-propyl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-5-propyl-1H-pyrazol-3-amine?
The canonical SMILES for 4-(2,4-dichlorophenyl)-5-propyl-1H-pyrazol-3-amine is CCCc1[nH]nc(N)c1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichlorophenyl)-5-propyl-1H-pyrazol-3-amine?
The InChIKey is XMVQSVBVXJNHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3/c1-2-3-10-11(12(15)17-16-10)8-5-4-7(13)6-9(8)14/h4-6H,2-3H2,1H3,(H3,15,16,17).
What are the key properties of 4-(2,4-dichlorophenyl)-5-propyl-1H-pyrazol-3-amine?
4-(2,4-dichlorophenyl)-5-propyl-1H-pyrazol-3-amine has a molecular weight of 270.16 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-5-propyl-1H-pyrazol-3-amine is sourced from PubChem (CID 43157641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).