3-[4-chloro-3-(dimethylamino)phenyl]-1-methylpyrazol-5-amine

C12H15ClN4 — CID 115111978

IUPAC3-[4-chloro-3-(dimethylamino)phenyl]-1-methylpyrazol-5-amine
SMILESCN(C)c1cc(-c2cc(N)n(C)n2)ccc1Cl
InChIInChI=1S/C12H15ClN4/c1-16(2)11-6-8(4-5-9(11)13)10-7-12(14)17(3)15-10/h4-7H,14H2,1-3H3
InChIKeyCFCLRQCSMJHDMK-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.39
Rot. Bonds2

About 3-[4-chloro-3-(dimethylamino)phenyl]-1-methylpyrazol-5-amine

3-[4-chloro-3-(dimethylamino)phenyl]-1-methylpyrazol-5-amine (PubChem CID 115111978) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is 3-[4-chloro-3-(dimethylamino)phenyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-[4-chloro-3-(dimethylamino)phenyl]-1-methylpyrazol-5-amine
PubChem CID115111978
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name3-[4-chloro-3-(dimethylamino)phenyl]-1-methylpyrazol-5-amine
SMILESCN(C)c1cc(-c2cc(N)n(C)n2)ccc1Cl
InChIInChI=1S/C12H15ClN4/c1-16(2)11-6-8(4-5-9(11)13)10-7-12(14)17(3)15-10/h4-7H,14H2,1-3H3
InChIKeyCFCLRQCSMJHDMK-UHFFFAOYSA-N
XLogP2.39
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dichlorophenyl)-1-methylpyrazol-5-amine
CID 1471110
4-(5-amino-1-methylpyrazol-3-yl)-2-chlorophenol
CID 136968433
3-(1,3-benzodioxol-5-yl)-1-methylpyrazol-5-amine
CID 43158870
3-[2-(dimethylamino)phenyl]-1-methylpyrazol-5-amine
CID 117308446
3-(3-chloro-4-pyrazol-1-ylphenyl)-1-methylpyrazol-5-amine
CID 117437053
3-(4-chloro-1H-indol-6-yl)-1-methylpyrazol-5-amine
CID 117369283
3-(3-chloro-5-methylphenyl)-1-methylpyrazol-5-amine
CID 81323807
3-(1,3-dihydro-2-benzofuran-5-yl)-1-methylpyrazol-5-amine
CID 63744696
1-methyl-3-(1-methylindol-5-yl)pyrazol-5-amine
CID 117325598
3-(3-chloro-2,6-difluorophenyl)-1-methylpyrazol-5-amine
CID 117361022
1-methyl-3-(4-methyl-3-methylsulfanylphenyl)pyrazol-5-amine
CID 117338985
1-methyl-3-(3-methylbenzimidazol-5-yl)pyrazol-5-amine
CID 117327059

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-3-(dimethylamino)phenyl]-1-methylpyrazol-5-amine?
The IUPAC name of 3-[4-chloro-3-(dimethylamino)phenyl]-1-methylpyrazol-5-amine (CID 115111978) is 3-[4-chloro-3-(dimethylamino)phenyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-[4-chloro-3-(dimethylamino)phenyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 3-[4-chloro-3-(dimethylamino)phenyl]-1-methylpyrazol-5-amine is CN(C)c1cc(-c2cc(N)n(C)n2)ccc1Cl.
What is the InChIKey of 3-[4-chloro-3-(dimethylamino)phenyl]-1-methylpyrazol-5-amine?
The InChIKey is CFCLRQCSMJHDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c1-16(2)11-6-8(4-5-9(11)13)10-7-12(14)17(3)15-10/h4-7H,14H2,1-3H3.
What are the key properties of 3-[4-chloro-3-(dimethylamino)phenyl]-1-methylpyrazol-5-amine?
3-[4-chloro-3-(dimethylamino)phenyl]-1-methylpyrazol-5-amine has a molecular weight of 250.73 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-3-(dimethylamino)phenyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 115111978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).