N-[[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]methyl]-1,5-dimethylpyrazol-4-amine

C17H24ClN5 — CID 127265172

IUPACN-[[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]methyl]-1,5-dimethylpyrazol-4-amine
SMILESCc1c(NCc2c(Cl)cccc2N2CCN(C)CC2)cnn1C
InChIInChI=1S/C17H24ClN5/c1-13-16(12-20-22(13)3)19-11-14-15(18)5-4-6-17(14)23-9-7-21(2)8-10-23/h4-6,12,19H,7-11H2,1-3H3
InChIKeyREMKDQMXBIPQAK-UHFFFAOYSA-N
MW333.87 g/mol
LogP2.75
Rot. Bonds4

About N-[[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]methyl]-1,5-dimethylpyrazol-4-amine

N-[[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]methyl]-1,5-dimethylpyrazol-4-amine (PubChem CID 127265172) has the molecular formula C17H24ClN5 and a molecular weight of 333.87 g/mol. Its IUPAC name is N-[[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]methyl]-1,5-dimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-[[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]methyl]-1,5-dimethylpyrazol-4-amine
PubChem CID127265172
Molecular FormulaC17H24ClN5
Molecular Weight333.87 g/mol
Exact Mass333.17
IUPAC NameN-[[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]methyl]-1,5-dimethylpyrazol-4-amine
SMILESCc1c(NCc2c(Cl)cccc2N2CCN(C)CC2)cnn1C
InChIInChI=1S/C17H24ClN5/c1-13-16(12-20-22(13)3)19-11-14-15(18)5-4-6-17(14)23-9-7-21(2)8-10-23/h4-6,12,19H,7-11H2,1-3H3
InChIKeyREMKDQMXBIPQAK-UHFFFAOYSA-N
XLogP2.75
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.87
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]methyl]-1-methylpyrazol-4-amine
CID 75440527
1-[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]-N-methylmethanamine
CID 43280415
N-[(2-chlorophenyl)methyl]-1,5-dimethylpyrazol-4-amine
CID 115899733
1-[2-chloro-6-(4-methyl-1,4-diazepan-1-yl)phenyl]-N-methylmethanamine
CID 43281338
N-[(3-chlorophenyl)methyl]-1,5-dimethylpyrazol-4-amine
CID 115899747
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline
CID 79578369
[(1R,4S)-4-[[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]methylamino]cyclopent-2-en-1-yl]methanol
CID 126817121
1-[2-(bromomethyl)-3-chlorophenyl]-4-methyl-1,4-diazepane
CID 107079656
4-[(2-chloro-6-fluorophenyl)methylamino]-1-methylpyrazole-5-carboxylic acid
CID 19624725
1-[[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]methyl]-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 111771969
N-[[2-chloro-6-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]ethanamine
CID 54977416
N-[[2-(azepan-1-yl)-6-chlorophenyl]methyl]-2-methylpropan-1-amine
CID 63566563

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]methyl]-1,5-dimethylpyrazol-4-amine?
The IUPAC name of N-[[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]methyl]-1,5-dimethylpyrazol-4-amine (CID 127265172) is N-[[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]methyl]-1,5-dimethylpyrazol-4-amine.
What is the SMILES notation for N-[[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]methyl]-1,5-dimethylpyrazol-4-amine?
The canonical SMILES for N-[[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]methyl]-1,5-dimethylpyrazol-4-amine is Cc1c(NCc2c(Cl)cccc2N2CCN(C)CC2)cnn1C.
What is the InChIKey of N-[[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]methyl]-1,5-dimethylpyrazol-4-amine?
The InChIKey is REMKDQMXBIPQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN5/c1-13-16(12-20-22(13)3)19-11-14-15(18)5-4-6-17(14)23-9-7-21(2)8-10-23/h4-6,12,19H,7-11H2,1-3H3.
What are the key properties of N-[[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]methyl]-1,5-dimethylpyrazol-4-amine?
N-[[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]methyl]-1,5-dimethylpyrazol-4-amine has a molecular weight of 333.87 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]methyl]-1,5-dimethylpyrazol-4-amine is sourced from PubChem (CID 127265172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).