4-(aminomethyl)-3-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline

C13H17ClN4 — CID 55154692

IUPAC4-(aminomethyl)-3-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
SMILESCN(Cc1cnn(C)c1)c1ccc(CN)c(Cl)c1
InChIInChI=1S/C13H17ClN4/c1-17(8-10-7-16-18(2)9-10)12-4-3-11(6-15)13(14)5-12/h3-5,7,9H,6,8,15H2,1-2H3
InChIKeyMIXHJCSQEVZMNI-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.17
Rot. Bonds4

About 4-(aminomethyl)-3-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline

4-(aminomethyl)-3-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline (PubChem CID 55154692) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is 4-(aminomethyl)-3-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name4-(aminomethyl)-3-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
PubChem CID55154692
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name4-(aminomethyl)-3-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
SMILESCN(Cc1cnn(C)c1)c1ccc(CN)c(Cl)c1
InChIInChI=1S/C13H17ClN4/c1-17(8-10-7-16-18(2)9-10)12-4-3-11(6-15)13(14)5-12/h3-5,7,9H,6,8,15H2,1-2H3
InChIKeyMIXHJCSQEVZMNI-UHFFFAOYSA-N
XLogP2.17
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(3-chloro-4-methylphenyl)-1-ethylpyrazole-4-sulfonamide
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CID 155529847
N-(3-chloro-2-methylphenyl)-N'-[(1-ethyl-1H-pyrazol-4-yl)methyl]thiourea
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3-Cyclopropyl-1-[(2,6-dichlorophenyl)methyl]pyrazole
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1-[4-(chloromethyl)phenyl]-1H-pyrazole
CID 7130887
N-(3-chloro-4-methylphenyl)-3-(1H-pyrazol-1-yl)propanamide
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CID 4419849

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline?
The IUPAC name of 4-(aminomethyl)-3-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline (CID 55154692) is 4-(aminomethyl)-3-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline.
What is the SMILES notation for 4-(aminomethyl)-3-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline?
The canonical SMILES for 4-(aminomethyl)-3-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline is CN(Cc1cnn(C)c1)c1ccc(CN)c(Cl)c1.
What is the InChIKey of 4-(aminomethyl)-3-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline?
The InChIKey is MIXHJCSQEVZMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-17(8-10-7-16-18(2)9-10)12-4-3-11(6-15)13(14)5-12/h3-5,7,9H,6,8,15H2,1-2H3.
What are the key properties of 4-(aminomethyl)-3-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline?
4-(aminomethyl)-3-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline has a molecular weight of 264.76 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline is sourced from PubChem (CID 55154692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).