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

C15H17Cl2N3 — CID 107179224

IUPAC4-(3,4-dichlorophenyl)-5-(2-methylcyclopentyl)-1H-pyrazol-3-amine
SMILESCC1CCCC1c1[nH]nc(N)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H17Cl2N3/c1-8-3-2-4-10(8)14-13(15(18)20-19-14)9-5-6-11(16)12(17)7-9/h5-8,10H,2-4H2,1H3,(H3,18,19,20)
InChIKeyHKVFTYUBWJAIPW-UHFFFAOYSA-N
MW310.23 g/mol
LogP4.87
Rot. Bonds2

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

4-(3,4-dichlorophenyl)-5-(2-methylcyclopentyl)-1H-pyrazol-3-amine (PubChem CID 107179224) has the molecular formula C15H17Cl2N3 and a molecular weight of 310.23 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-5-(2-methylcyclopentyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-5-(2-methylcyclopentyl)-1H-pyrazol-3-amine
PubChem CID107179224
Molecular FormulaC15H17Cl2N3
Molecular Weight310.23 g/mol
Exact Mass309.08
IUPAC Name4-(3,4-dichlorophenyl)-5-(2-methylcyclopentyl)-1H-pyrazol-3-amine
SMILESCC1CCCC1c1[nH]nc(N)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H17Cl2N3/c1-8-3-2-4-10(8)14-13(15(18)20-19-14)9-5-6-11(16)12(17)7-9/h5-8,10H,2-4H2,1H3,(H3,18,19,20)
InChIKeyHKVFTYUBWJAIPW-UHFFFAOYSA-N
XLogP4.87
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-5-(2-methylcyclopentyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(3,4-dichlorophenyl)-5-(2-methylcyclopentyl)-1H-pyrazol-3-amine (CID 107179224) is 4-(3,4-dichlorophenyl)-5-(2-methylcyclopentyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-5-(2-methylcyclopentyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(3,4-dichlorophenyl)-5-(2-methylcyclopentyl)-1H-pyrazol-3-amine is CC1CCCC1c1[nH]nc(N)c1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-5-(2-methylcyclopentyl)-1H-pyrazol-3-amine?
The InChIKey is HKVFTYUBWJAIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3/c1-8-3-2-4-10(8)14-13(15(18)20-19-14)9-5-6-11(16)12(17)7-9/h5-8,10H,2-4H2,1H3,(H3,18,19,20).
What are the key properties of 4-(3,4-dichlorophenyl)-5-(2-methylcyclopentyl)-1H-pyrazol-3-amine?
4-(3,4-dichlorophenyl)-5-(2-methylcyclopentyl)-1H-pyrazol-3-amine has a molecular weight of 310.23 g/mol, XLogP of 4.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-5-(2-methylcyclopentyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 107179224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).