[5-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazol-3-yl]methanamine

C14H18ClN3O — CID 98022877

IUPAC[5-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazol-3-yl]methanamine
SMILESCC(C)Oc1ccc(-c2cc(CN)nn2C)cc1Cl
InChIInChI=1S/C14H18ClN3O/c1-9(2)19-14-5-4-10(6-12(14)15)13-7-11(8-16)17-18(13)3/h4-7,9H,8,16H2,1-3H3
InChIKeyGZBXVHHQTFKCMY-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.99
Rot. Bonds4

About [5-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazol-3-yl]methanamine

[5-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazol-3-yl]methanamine (PubChem CID 98022877) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is [5-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazol-3-yl]methanamine
PubChem CID98022877
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name[5-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazol-3-yl]methanamine
SMILESCC(C)Oc1ccc(-c2cc(CN)nn2C)cc1Cl
InChIInChI=1S/C14H18ClN3O/c1-9(2)19-14-5-4-10(6-12(14)15)13-7-11(8-16)17-18(13)3/h4-7,9H,8,16H2,1-3H3
InChIKeyGZBXVHHQTFKCMY-UHFFFAOYSA-N
XLogP2.99
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazol-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(4-methoxy-3-propan-2-ylphenyl)-1-methylpyrazol-3-yl]methanamine
CID 82484172
2-[1-methyl-5-(3-methyl-4-propan-2-yloxyphenyl)pyrazol-3-yl]ethanamine
CID 96669271
[5-(4-butan-2-ylphenyl)-1-methylpyrazol-3-yl]methanamine
CID 82478236
5-(3-chloro-4-propan-2-yloxyphenyl)-3-methyl-1,3,4-oxadiazol-2-one
CID 163703791
[4-(3-chloro-4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]methanamine
CID 82304284
[5-(3-methoxy-4-propoxyphenyl)-1-methylpyrazol-3-yl]methanamine
CID 82072386
3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 58269231
[1-methyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanol
CID 82049017
[5-(2,4-dimethoxy-3-methylphenyl)-1-methylpyrazol-3-yl]methanamine
CID 82485187
2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 82303522
4-(3-chloro-4-propan-2-yloxyphenyl)pentan-1-amine
CID 112512686
2-chloro-4-(5-chloro-2-pentan-3-ylphenyl)-1-propan-2-yloxybenzene
CID 126760257

Frequently Asked Questions

What is the IUPAC name of [5-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazol-3-yl]methanamine?
The IUPAC name of [5-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazol-3-yl]methanamine (CID 98022877) is [5-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazol-3-yl]methanamine.
What is the SMILES notation for [5-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazol-3-yl]methanamine?
The canonical SMILES for [5-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazol-3-yl]methanamine is CC(C)Oc1ccc(-c2cc(CN)nn2C)cc1Cl.
What is the InChIKey of [5-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazol-3-yl]methanamine?
The InChIKey is GZBXVHHQTFKCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-9(2)19-14-5-4-10(6-12(14)15)13-7-11(8-16)17-18(13)3/h4-7,9H,8,16H2,1-3H3.
What are the key properties of [5-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazol-3-yl]methanamine?
[5-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazol-3-yl]methanamine has a molecular weight of 279.77 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazol-3-yl]methanamine is sourced from PubChem (CID 98022877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).