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

C14H18ClN3O — CID 95483572

IUPAC[1-(3-chloro-4-methoxyphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
SMILESCOc1ccc(-n2ncc(CN)c2C(C)C)cc1Cl
InChIInChI=1S/C14H18ClN3O/c1-9(2)14-10(7-16)8-17-18(14)11-4-5-13(19-3)12(15)6-11/h4-6,8-9H,7,16H2,1-3H3
InChIKeyWDPXCSDCHAXRAR-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.12
Rot. Bonds4

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

[1-(3-chloro-4-methoxyphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine (PubChem CID 95483572) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is [1-(3-chloro-4-methoxyphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(3-chloro-4-methoxyphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
PubChem CID95483572
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name[1-(3-chloro-4-methoxyphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
SMILESCOc1ccc(-n2ncc(CN)c2C(C)C)cc1Cl
InChIInChI=1S/C14H18ClN3O/c1-9(2)14-10(7-16)8-17-18(14)11-4-5-13(19-3)12(15)6-11/h4-6,8-9H,7,16H2,1-3H3
InChIKeyWDPXCSDCHAXRAR-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
CID 66440251
[1-(2-methoxyphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
CID 66440981
[1-(3-chloro-4-methoxyphenyl)tetrazol-5-yl]methanamine
CID 62737585
[1-(3-chloro-4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine
CID 82091856
1-(3-chloro-4-methylphenyl)-5-propan-2-ylpyrazol-4-amine
CID 66424137
1-(3-chloro-4-methoxyphenyl)-3-(chloromethyl)-5-methylpyrazole
CID 94697073
[1-(3-chloro-4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]methanamine
CID 82072849
2-[3-(3-chloro-4-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 107443926
[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]methanol
CID 66437016
4-(chloromethyl)-1-(2-methoxyphenyl)-5-propan-2-ylpyrazole
CID 66438831
[1-(2-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
CID 66441076
2-[4-(3-chloro-4-methoxyphenyl)-5-(chloromethyl)-1,2,4-triazol-3-yl]ethanamine
CID 83968020

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-methoxyphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine?
The IUPAC name of [1-(3-chloro-4-methoxyphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine (CID 95483572) is [1-(3-chloro-4-methoxyphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine.
What is the SMILES notation for [1-(3-chloro-4-methoxyphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine?
The canonical SMILES for [1-(3-chloro-4-methoxyphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine is COc1ccc(-n2ncc(CN)c2C(C)C)cc1Cl.
What is the InChIKey of [1-(3-chloro-4-methoxyphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine?
The InChIKey is WDPXCSDCHAXRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-9(2)14-10(7-16)8-17-18(14)11-4-5-13(19-3)12(15)6-11/h4-6,8-9H,7,16H2,1-3H3.
What are the key properties of [1-(3-chloro-4-methoxyphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine?
[1-(3-chloro-4-methoxyphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine has a molecular weight of 279.77 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4-methoxyphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine is sourced from PubChem (CID 95483572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).