4-(2,6-dichlorophenyl)-5-pentan-3-yl-1H-pyrazol-3-amine

C14H17Cl2N3 — CID 43334843

IUPAC4-(2,6-dichlorophenyl)-5-pentan-3-yl-1H-pyrazol-3-amine
SMILESCCC(CC)c1[nH]nc(N)c1-c1c(Cl)cccc1Cl
InChIInChI=1S/C14H17Cl2N3/c1-3-8(4-2)13-12(14(17)19-18-13)11-9(15)6-5-7-10(11)16/h5-8H,3-4H2,1-2H3,(H3,17,18,19)
InChIKeyFETGVZOROZDMPS-UHFFFAOYSA-N
MW298.22 g/mol
LogP4.87
Rot. Bonds4

About 4-(2,6-dichlorophenyl)-5-pentan-3-yl-1H-pyrazol-3-amine

4-(2,6-dichlorophenyl)-5-pentan-3-yl-1H-pyrazol-3-amine (PubChem CID 43334843) has the molecular formula C14H17Cl2N3 and a molecular weight of 298.22 g/mol. Its IUPAC name is 4-(2,6-dichlorophenyl)-5-pentan-3-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(2,6-dichlorophenyl)-5-pentan-3-yl-1H-pyrazol-3-amine
PubChem CID43334843
Molecular FormulaC14H17Cl2N3
Molecular Weight298.22 g/mol
Exact Mass297.08
IUPAC Name4-(2,6-dichlorophenyl)-5-pentan-3-yl-1H-pyrazol-3-amine
SMILESCCC(CC)c1[nH]nc(N)c1-c1c(Cl)cccc1Cl
InChIInChI=1S/C14H17Cl2N3/c1-3-8(4-2)13-12(14(17)19-18-13)11-9(15)6-5-7-10(11)16/h5-8H,3-4H2,1-2H3,(H3,17,18,19)
InChIKeyFETGVZOROZDMPS-UHFFFAOYSA-N
XLogP4.87
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
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-(2,6-dichlorophenyl)-5-pentan-3-yl-1H-pyrazol-3-amine?
The IUPAC name of 4-(2,6-dichlorophenyl)-5-pentan-3-yl-1H-pyrazol-3-amine (CID 43334843) is 4-(2,6-dichlorophenyl)-5-pentan-3-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(2,6-dichlorophenyl)-5-pentan-3-yl-1H-pyrazol-3-amine?
The canonical SMILES for 4-(2,6-dichlorophenyl)-5-pentan-3-yl-1H-pyrazol-3-amine is CCC(CC)c1[nH]nc(N)c1-c1c(Cl)cccc1Cl.
What is the InChIKey of 4-(2,6-dichlorophenyl)-5-pentan-3-yl-1H-pyrazol-3-amine?
The InChIKey is FETGVZOROZDMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3/c1-3-8(4-2)13-12(14(17)19-18-13)11-9(15)6-5-7-10(11)16/h5-8H,3-4H2,1-2H3,(H3,17,18,19).
What are the key properties of 4-(2,6-dichlorophenyl)-5-pentan-3-yl-1H-pyrazol-3-amine?
4-(2,6-dichlorophenyl)-5-pentan-3-yl-1H-pyrazol-3-amine has a molecular weight of 298.22 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichlorophenyl)-5-pentan-3-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 43334843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).