[1-(4-chloro-2-methylphenyl)-5-propan-2-ylpyrazol-3-yl]methanamine

C14H18ClN3 — CID 82091419

IUPAC[1-(4-chloro-2-methylphenyl)-5-propan-2-ylpyrazol-3-yl]methanamine
SMILESCc1cc(Cl)ccc1-n1nc(CN)cc1C(C)C
InChIInChI=1S/C14H18ClN3/c1-9(2)14-7-12(8-16)17-18(14)13-5-4-11(15)6-10(13)3/h4-7,9H,8,16H2,1-3H3
InChIKeyNXBMWDRPCFWIGW-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.42
Rot. Bonds3

About [1-(4-chloro-2-methylphenyl)-5-propan-2-ylpyrazol-3-yl]methanamine

[1-(4-chloro-2-methylphenyl)-5-propan-2-ylpyrazol-3-yl]methanamine (PubChem CID 82091419) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is [1-(4-chloro-2-methylphenyl)-5-propan-2-ylpyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(4-chloro-2-methylphenyl)-5-propan-2-ylpyrazol-3-yl]methanamine
PubChem CID82091419
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name[1-(4-chloro-2-methylphenyl)-5-propan-2-ylpyrazol-3-yl]methanamine
SMILESCc1cc(Cl)ccc1-n1nc(CN)cc1C(C)C
InChIInChI=1S/C14H18ClN3/c1-9(2)14-7-12(8-16)17-18(14)13-5-4-11(15)6-10(13)3/h4-7,9H,8,16H2,1-3H3
InChIKeyNXBMWDRPCFWIGW-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(5-chloro-2-methylphenyl)-5-propan-2-ylpyrazol-3-yl]methanamine
CID 82091414
[1-(4-chloro-2-methylphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine
CID 82072108
1-(4-chloro-2-methylphenyl)-3-ethylpyrazol-5-amine
CID 82083527
[1-(3-methylphenyl)-5-propan-2-ylpyrazol-3-yl]methanamine
CID 82081655
[1-(4-chloro-2-methylphenyl)-5-methyltriazol-4-yl]methanamine
CID 82195240
[1-(2-chlorophenyl)-5-propan-2-ylpyrazol-3-yl]methanol
CID 82087529
2-[1-(4-chloro-2-methylphenyl)-5-methylpyrazol-4-yl]ethanamine
CID 82297303
5-amino-1-(4-chloro-2-methylphenyl)pyrazole-3-carboxylic acid
CID 82119560
[1-(4-chloro-2-methylphenyl)-5-cyclobutyltriazol-4-yl]methanamine
CID 82195258
5-amino-1-(4-chloro-2-methylphenyl)-1,2,4-triazole-3-carboxylic acid
CID 116817607
2-[2-(4-chloro-2-methylphenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]ethanamine
CID 98020555
2-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-3-yl]ethanamine
CID 82086518

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-2-methylphenyl)-5-propan-2-ylpyrazol-3-yl]methanamine?
The IUPAC name of [1-(4-chloro-2-methylphenyl)-5-propan-2-ylpyrazol-3-yl]methanamine (CID 82091419) is [1-(4-chloro-2-methylphenyl)-5-propan-2-ylpyrazol-3-yl]methanamine.
What is the SMILES notation for [1-(4-chloro-2-methylphenyl)-5-propan-2-ylpyrazol-3-yl]methanamine?
The canonical SMILES for [1-(4-chloro-2-methylphenyl)-5-propan-2-ylpyrazol-3-yl]methanamine is Cc1cc(Cl)ccc1-n1nc(CN)cc1C(C)C.
What is the InChIKey of [1-(4-chloro-2-methylphenyl)-5-propan-2-ylpyrazol-3-yl]methanamine?
The InChIKey is NXBMWDRPCFWIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-9(2)14-7-12(8-16)17-18(14)13-5-4-11(15)6-10(13)3/h4-7,9H,8,16H2,1-3H3.
What are the key properties of [1-(4-chloro-2-methylphenyl)-5-propan-2-ylpyrazol-3-yl]methanamine?
[1-(4-chloro-2-methylphenyl)-5-propan-2-ylpyrazol-3-yl]methanamine has a molecular weight of 263.77 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-2-methylphenyl)-5-propan-2-ylpyrazol-3-yl]methanamine is sourced from PubChem (CID 82091419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).