N-[(3-chlorophenyl)methyl]-1,5-dimethylpyrazol-4-amine

C12H14ClN3 — CID 115899747

IUPACN-[(3-chlorophenyl)methyl]-1,5-dimethylpyrazol-4-amine
SMILESCc1c(NCc2cccc(Cl)c2)cnn1C
InChIInChI=1S/C12H14ClN3/c1-9-12(8-15-16(9)2)14-7-10-4-3-5-11(13)6-10/h3-6,8,14H,7H2,1-2H3
InChIKeySDTBQAKJOGEWIJ-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.99
Rot. Bonds3

About N-[(3-chlorophenyl)methyl]-1,5-dimethylpyrazol-4-amine

N-[(3-chlorophenyl)methyl]-1,5-dimethylpyrazol-4-amine (PubChem CID 115899747) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1,5-dimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1,5-dimethylpyrazol-4-amine
PubChem CID115899747
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC NameN-[(3-chlorophenyl)methyl]-1,5-dimethylpyrazol-4-amine
SMILESCc1c(NCc2cccc(Cl)c2)cnn1C
InChIInChI=1S/C12H14ClN3/c1-9-12(8-15-16(9)2)14-7-10-4-3-5-11(13)6-10/h3-6,8,14H,7H2,1-2H3
InChIKeySDTBQAKJOGEWIJ-UHFFFAOYSA-N
XLogP2.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-1,5-dimethylpyrazol-4-amine
CID 115899733
4-chloro-5-[(3-chlorophenyl)methylamino]-2-ethylpyridazin-3-one
CID 114437248
N-[(3,5-dimethoxyphenyl)methyl]-1,5-dimethylpyrazol-4-amine
CID 19625831
2-(3-chlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone
CID 105078195
1-(3-chlorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylmethanamine
CID 22196363
5-N-[(3-chlorophenyl)methyl]-1,3-dimethylpyrazole-4,5-diamine
CID 62537746
N'-[5-[(3-chlorophenyl)methyl]-1-methylpyrazol-4-yl]ethane-1,2-diamine
CID 117210313
4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylaniline
CID 79578705
N-[(3-chlorophenyl)methyl]-5-methoxy-2-methylpyridin-4-amine
CID 106660476
3-[[(1-ethyl-5-methylpyrazol-4-yl)amino]methyl]phenol
CID 122168784
N-[[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]methyl]-1,5-dimethylpyrazol-4-amine
CID 127265172
6-[(3-chlorophenyl)methoxy]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazin-2-amine
CID 133405618

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1,5-dimethylpyrazol-4-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1,5-dimethylpyrazol-4-amine (CID 115899747) is N-[(3-chlorophenyl)methyl]-1,5-dimethylpyrazol-4-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1,5-dimethylpyrazol-4-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1,5-dimethylpyrazol-4-amine is Cc1c(NCc2cccc(Cl)c2)cnn1C.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1,5-dimethylpyrazol-4-amine?
The InChIKey is SDTBQAKJOGEWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-9-12(8-15-16(9)2)14-7-10-4-3-5-11(13)6-10/h3-6,8,14H,7H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-1,5-dimethylpyrazol-4-amine?
N-[(3-chlorophenyl)methyl]-1,5-dimethylpyrazol-4-amine has a molecular weight of 235.72 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1,5-dimethylpyrazol-4-amine is sourced from PubChem (CID 115899747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).