2-(4-chlorophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine

C14H18ClN3 — CID 83986383

IUPAC2-(4-chlorophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine
SMILESCC(C)c1cc(C(CN)c2ccc(Cl)cc2)[nH]n1
InChIInChI=1S/C14H18ClN3/c1-9(2)13-7-14(18-17-13)12(8-16)10-3-5-11(15)6-4-10/h3-7,9,12H,8,16H2,1-2H3,(H,17,18)
InChIKeyMNVAPYKFPMEPDI-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.28
Rot. Bonds4

About 2-(4-chlorophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine

2-(4-chlorophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine (PubChem CID 83986383) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine
PubChem CID83986383
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name2-(4-chlorophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine
SMILESCC(C)c1cc(C(CN)c2ccc(Cl)cc2)[nH]n1
InChIInChI=1S/C14H18ClN3/c1-9(2)13-7-14(18-17-13)12(8-16)10-3-5-11(15)6-4-10/h3-7,9,12H,8,16H2,1-2H3,(H,17,18)
InChIKeyMNVAPYKFPMEPDI-UHFFFAOYSA-N
XLogP3.28
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine?
The IUPAC name of 2-(4-chlorophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine (CID 83986383) is 2-(4-chlorophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine is CC(C)c1cc(C(CN)c2ccc(Cl)cc2)[nH]n1.
What is the InChIKey of 2-(4-chlorophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine?
The InChIKey is MNVAPYKFPMEPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-9(2)13-7-14(18-17-13)12(8-16)10-3-5-11(15)6-4-10/h3-7,9,12H,8,16H2,1-2H3,(H,17,18).
What are the key properties of 2-(4-chlorophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine?
2-(4-chlorophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine has a molecular weight of 263.77 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine is sourced from PubChem (CID 83986383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).