(2-chloro-4-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine

C14H18ClN3 — CID 114198024

IUPAC(2-chloro-4-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine
SMILESCc1ccc(C(N)c2ccnn2C(C)C)c(Cl)c1
InChIInChI=1S/C14H18ClN3/c1-9(2)18-13(6-7-17-18)14(16)11-5-4-10(3)8-12(11)15/h4-9,14H,16H2,1-3H3
InChIKeyCGGZDLBIFFWXJW-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.47
Rot. Bonds3

About (2-chloro-4-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine

(2-chloro-4-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine (PubChem CID 114198024) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is (2-chloro-4-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(2-chloro-4-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine
PubChem CID114198024
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name(2-chloro-4-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine
SMILESCc1ccc(C(N)c2ccnn2C(C)C)c(Cl)c1
InChIInChI=1S/C14H18ClN3/c1-9(2)18-13(6-7-17-18)14(16)11-5-4-10(3)8-12(11)15/h4-9,14H,16H2,1-3H3
InChIKeyCGGZDLBIFFWXJW-UHFFFAOYSA-N
XLogP3.47
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine?
The IUPAC name of (2-chloro-4-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine (CID 114198024) is (2-chloro-4-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine.
What is the SMILES notation for (2-chloro-4-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine?
The canonical SMILES for (2-chloro-4-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine is Cc1ccc(C(N)c2ccnn2C(C)C)c(Cl)c1.
What is the InChIKey of (2-chloro-4-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine?
The InChIKey is CGGZDLBIFFWXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-9(2)18-13(6-7-17-18)14(16)11-5-4-10(3)8-12(11)15/h4-9,14H,16H2,1-3H3.
What are the key properties of (2-chloro-4-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine?
(2-chloro-4-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine has a molecular weight of 263.77 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine is sourced from PubChem (CID 114198024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).