1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine

C10H14ClN5 — CID 114660153

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
SMILESCNC(c1cncn1C)c1c(Cl)cnn1C
InChIInChI=1S/C10H14ClN5/c1-12-9(8-5-13-6-15(8)2)10-7(11)4-14-16(10)3/h4-6,9,12H,1-3H3
InChIKeyJRZAVAHXHQOSSW-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.12
Rot. Bonds3

About 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine

1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine (PubChem CID 114660153) has the molecular formula C10H14ClN5 and a molecular weight of 239.71 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
PubChem CID114660153
Molecular FormulaC10H14ClN5
Molecular Weight239.71 g/mol
Exact Mass239.09
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
SMILESCNC(c1cncn1C)c1c(Cl)cnn1C
InChIInChI=1S/C10H14ClN5/c1-12-9(8-5-13-6-15(8)2)10-7(11)4-14-16(10)3/h4-6,9,12H,1-3H3
InChIKeyJRZAVAHXHQOSSW-UHFFFAOYSA-N
XLogP1.12
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chloro-1-methylpyrazol-5-yl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylmethanamine
CID 105186116
1-(4-chloro-1-methylpyrazol-5-yl)-1-(1,3-diethylpyrazol-5-yl)-N-methylmethanamine
CID 105185920
1-(3-chlorothiophen-2-yl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 107360135
1-(3,5-dimethylphenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 82902598
1-(4-chloro-1-methylpyrazol-5-yl)-1-(4-ethylsulfanylphenyl)-N-methylmethanamine
CID 106849011
1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(5-methylpyrazin-2-yl)methanamine
CID 105185977
1-(4-chloro-1-methylpyrazol-5-yl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine
CID 105046678
1-(4-chloro-2-fluorophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 114651089
1-(4-chloro-2-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 82903595
1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 114660754
1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine
CID 106755909
N-methyl-1-(3-methylimidazol-4-yl)-1-(2,4,5-trimethylphenyl)methanamine
CID 82901718

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine (CID 114660153) is 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine is CNC(c1cncn1C)c1c(Cl)cnn1C.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine?
The InChIKey is JRZAVAHXHQOSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN5/c1-12-9(8-5-13-6-15(8)2)10-7(11)4-14-16(10)3/h4-6,9,12H,1-3H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine?
1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine has a molecular weight of 239.71 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine is sourced from PubChem (CID 114660153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).