4-(3-chlorophenyl)-3-[(dimethylamino)methyl]-1-methylpyrazol-5-amine

C13H17ClN4 — CID 83813957

IUPAC4-(3-chlorophenyl)-3-[(dimethylamino)methyl]-1-methylpyrazol-5-amine
SMILESCN(C)Cc1nn(C)c(N)c1-c1cccc(Cl)c1
InChIInChI=1S/C13H17ClN4/c1-17(2)8-11-12(13(15)18(3)16-11)9-5-4-6-10(14)7-9/h4-7H,8,15H2,1-3H3
InChIKeyPOIAAYTZQDDJEN-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.38
Rot. Bonds3

About 4-(3-chlorophenyl)-3-[(dimethylamino)methyl]-1-methylpyrazol-5-amine

4-(3-chlorophenyl)-3-[(dimethylamino)methyl]-1-methylpyrazol-5-amine (PubChem CID 83813957) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-3-[(dimethylamino)methyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-3-[(dimethylamino)methyl]-1-methylpyrazol-5-amine
PubChem CID83813957
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name4-(3-chlorophenyl)-3-[(dimethylamino)methyl]-1-methylpyrazol-5-amine
SMILESCN(C)Cc1nn(C)c(N)c1-c1cccc(Cl)c1
InChIInChI=1S/C13H17ClN4/c1-17(2)8-11-12(13(15)18(3)16-11)9-5-4-6-10(14)7-9/h4-7H,8,15H2,1-3H3
InChIKeyPOIAAYTZQDDJEN-UHFFFAOYSA-N
XLogP2.38
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chlorophenyl)-3-(4-chlorophenyl)-1-methylpyrazol-5-amine
CID 43158527
4-(3-chlorophenyl)-3-cyclopropyl-1-methylpyrazol-5-amine
CID 43158522
4-(3-chlorophenyl)-1-methyl-3-pentan-2-ylpyrazol-5-amine
CID 43336306
3-(5-bromofuran-2-yl)-4-(3-chlorophenyl)-1-methylpyrazol-5-amine
CID 43336312
4-(3-chlorophenyl)-3-(1-cyclopropylethyl)-1-methylpyrazol-5-amine
CID 83154614
5-[5-amino-4-(3-chlorophenyl)-1-methylpyrazol-3-yl]-1H-pyridin-2-one
CID 136710573
5-(3-chlorophenyl)-3-methylimidazol-4-amine
CID 53275817
4-(3-chlorophenyl)-3-(2,5-dibromothiophen-3-yl)-1-methylpyrazol-5-amine
CID 107962606
4-(3-chlorophenyl)-3-(4-methoxythiophen-2-yl)-1-methylpyrazol-5-amine
CID 81122516
3-(cyclobutylmethyl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine
CID 103163980
3-(3-chloro-5-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 81317120
3-[2-(furan-2-yl)ethyl]-1-methyl-4-(3-methylphenyl)pyrazol-5-amine
CID 62829943

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-3-[(dimethylamino)methyl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-(3-chlorophenyl)-3-[(dimethylamino)methyl]-1-methylpyrazol-5-amine (CID 83813957) is 4-(3-chlorophenyl)-3-[(dimethylamino)methyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-3-[(dimethylamino)methyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(3-chlorophenyl)-3-[(dimethylamino)methyl]-1-methylpyrazol-5-amine is CN(C)Cc1nn(C)c(N)c1-c1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenyl)-3-[(dimethylamino)methyl]-1-methylpyrazol-5-amine?
The InChIKey is POIAAYTZQDDJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-17(2)8-11-12(13(15)18(3)16-11)9-5-4-6-10(14)7-9/h4-7H,8,15H2,1-3H3.
What are the key properties of 4-(3-chlorophenyl)-3-[(dimethylamino)methyl]-1-methylpyrazol-5-amine?
4-(3-chlorophenyl)-3-[(dimethylamino)methyl]-1-methylpyrazol-5-amine has a molecular weight of 264.76 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-3-[(dimethylamino)methyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 83813957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).