4-(2-chlorophenyl)-5-heptan-4-yl-1H-pyrazol-3-amine

C16H22ClN3 — CID 82983963

IUPAC4-(2-chlorophenyl)-5-heptan-4-yl-1H-pyrazol-3-amine
SMILESCCCC(CCC)c1[nH]nc(N)c1-c1ccccc1Cl
InChIInChI=1S/C16H22ClN3/c1-3-7-11(8-4-2)15-14(16(18)20-19-15)12-9-5-6-10-13(12)17/h5-6,9-11H,3-4,7-8H2,1-2H3,(H3,18,19,20)
InChIKeyGHXBSLAZYGMHOK-UHFFFAOYSA-N
MW291.83 g/mol
LogP5.00
Rot. Bonds6

About 4-(2-chlorophenyl)-5-heptan-4-yl-1H-pyrazol-3-amine

4-(2-chlorophenyl)-5-heptan-4-yl-1H-pyrazol-3-amine (PubChem CID 82983963) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-5-heptan-4-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-5-heptan-4-yl-1H-pyrazol-3-amine
PubChem CID82983963
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name4-(2-chlorophenyl)-5-heptan-4-yl-1H-pyrazol-3-amine
SMILESCCCC(CCC)c1[nH]nc(N)c1-c1ccccc1Cl
InChIInChI=1S/C16H22ClN3/c1-3-7-11(8-4-2)15-14(16(18)20-19-15)12-9-5-6-10-13(12)17/h5-6,9-11H,3-4,7-8H2,1-2H3,(H3,18,19,20)
InChIKeyGHXBSLAZYGMHOK-UHFFFAOYSA-N
XLogP5.00
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-5-heptan-4-yl-1H-pyrazol-3-amine?
The IUPAC name of 4-(2-chlorophenyl)-5-heptan-4-yl-1H-pyrazol-3-amine (CID 82983963) is 4-(2-chlorophenyl)-5-heptan-4-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(2-chlorophenyl)-5-heptan-4-yl-1H-pyrazol-3-amine?
The canonical SMILES for 4-(2-chlorophenyl)-5-heptan-4-yl-1H-pyrazol-3-amine is CCCC(CCC)c1[nH]nc(N)c1-c1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)-5-heptan-4-yl-1H-pyrazol-3-amine?
The InChIKey is GHXBSLAZYGMHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-3-7-11(8-4-2)15-14(16(18)20-19-15)12-9-5-6-10-13(12)17/h5-6,9-11H,3-4,7-8H2,1-2H3,(H3,18,19,20).
What are the key properties of 4-(2-chlorophenyl)-5-heptan-4-yl-1H-pyrazol-3-amine?
4-(2-chlorophenyl)-5-heptan-4-yl-1H-pyrazol-3-amine has a molecular weight of 291.83 g/mol, XLogP of 5.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-5-heptan-4-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 82983963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).