1-[5-chloro-2-(4-chloropyrazol-1-yl)phenyl]-N-methylmethanamine

C11H11Cl2N3 — CID 114854301

IUPAC1-[5-chloro-2-(4-chloropyrazol-1-yl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1-n1cc(Cl)cn1
InChIInChI=1S/C11H11Cl2N3/c1-14-5-8-4-9(12)2-3-11(8)16-7-10(13)6-15-16/h2-4,6-7,14H,5H2,1H3
InChIKeyNWTPBTHTDKWKLQ-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.90
Rot. Bonds3

About 1-[5-chloro-2-(4-chloropyrazol-1-yl)phenyl]-N-methylmethanamine

1-[5-chloro-2-(4-chloropyrazol-1-yl)phenyl]-N-methylmethanamine (PubChem CID 114854301) has the molecular formula C11H11Cl2N3 and a molecular weight of 256.14 g/mol. Its IUPAC name is 1-[5-chloro-2-(4-chloropyrazol-1-yl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-(4-chloropyrazol-1-yl)phenyl]-N-methylmethanamine
PubChem CID114854301
Molecular FormulaC11H11Cl2N3
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name1-[5-chloro-2-(4-chloropyrazol-1-yl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1-n1cc(Cl)cn1
InChIInChI=1S/C11H11Cl2N3/c1-14-5-8-4-9(12)2-3-11(8)16-7-10(13)6-15-16/h2-4,6-7,14H,5H2,1H3
InChIKeyNWTPBTHTDKWKLQ-UHFFFAOYSA-N
XLogP2.90
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]-N-methylmethanamine
CID 114854289
1-[3-(4-chloropyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 105074698
1-[5-chloro-2-(3-methylpyrazol-1-yl)phenyl]-N-methylmethanamine
CID 114854548
N-[[5-chloro-2-(4-iodopyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 114854706
N-[[2-(4-chloropyrazol-1-yl)-5-fluorophenyl]methyl]propan-2-amine
CID 54910009
N-[[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 114854309
N-[[4-(4-chloropyrazol-1-yl)-3-fluorophenyl]methyl]ethanamine
CID 54909733
[2-(4-chloropyrazol-1-yl)phenyl]methanol
CID 61035792
1-[2-(4-chloropyrazol-1-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 130637258
1-(2,4-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839755
2-(4-chloropyrazol-1-yl)-5-(ethylaminomethyl)benzonitrile
CID 114063830
1-[1-(2,5-dichlorophenyl)-3-methylpyrazol-4-yl]-N-methylmethanamine
CID 84617873

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(4-chloropyrazol-1-yl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-2-(4-chloropyrazol-1-yl)phenyl]-N-methylmethanamine (CID 114854301) is 1-[5-chloro-2-(4-chloropyrazol-1-yl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-2-(4-chloropyrazol-1-yl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-2-(4-chloropyrazol-1-yl)phenyl]-N-methylmethanamine is CNCc1cc(Cl)ccc1-n1cc(Cl)cn1.
What is the InChIKey of 1-[5-chloro-2-(4-chloropyrazol-1-yl)phenyl]-N-methylmethanamine?
The InChIKey is NWTPBTHTDKWKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3/c1-14-5-8-4-9(12)2-3-11(8)16-7-10(13)6-15-16/h2-4,6-7,14H,5H2,1H3.
What are the key properties of 1-[5-chloro-2-(4-chloropyrazol-1-yl)phenyl]-N-methylmethanamine?
1-[5-chloro-2-(4-chloropyrazol-1-yl)phenyl]-N-methylmethanamine has a molecular weight of 256.14 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(4-chloropyrazol-1-yl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 114854301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).