[5-chloro-6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanamine

C10H11ClN4 — CID 121209283

IUPAC[5-chloro-6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanamine
SMILESCn1cc(-c2ncc(CN)cc2Cl)cn1
InChIInChI=1S/C10H11ClN4/c1-15-6-8(5-14-15)10-9(11)2-7(3-12)4-13-10/h2,4-6H,3,12H2,1H3
InChIKeyYNCUUSMGBKTGAI-UHFFFAOYSA-N
MW222.68 g/mol
LogP1.59
Rot. Bonds2

About [5-chloro-6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanamine

[5-chloro-6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanamine (PubChem CID 121209283) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is [5-chloro-6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-chloro-6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanamine
PubChem CID121209283
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC Name[5-chloro-6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanamine
SMILESCn1cc(-c2ncc(CN)cc2Cl)cn1
InChIInChI=1S/C10H11ClN4/c1-15-6-8(5-14-15)10-9(11)2-7(3-12)4-13-10/h2,4-6H,3,12H2,1H3
InChIKeyYNCUUSMGBKTGAI-UHFFFAOYSA-N
XLogP1.59
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-3-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine
CID 55054503
[3-(1-methylpyrazol-4-yl)phenyl]methanamine
CID 61033657
3-chloro-5-(1-methylpyrazol-4-yl)pyridin-2-amine
CID 168665646
3,5-dichloro-N-ethyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine
CID 102753146
[4-methyl-3-(1-methylpyrazol-4-yl)phenyl]methanamine
CID 105408567
[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methanamine
CID 170995038
5-(aminomethyl)-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine
CID 80630281
[5-chloro-6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 62300014
[6-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]methanamine
CID 65197998
[5-(1-methylpyrazol-4-yl)pyridazin-4-yl]methanamine
CID 82404489
[3-fluoro-5-[1-(1-methylpyrazol-4-yl)pyrazol-4-yl]phenyl]methanamine
CID 170765723
[5-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methanamine
CID 116803066

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanamine?
The IUPAC name of [5-chloro-6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanamine (CID 121209283) is [5-chloro-6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [5-chloro-6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [5-chloro-6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanamine is Cn1cc(-c2ncc(CN)cc2Cl)cn1.
What is the InChIKey of [5-chloro-6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanamine?
The InChIKey is YNCUUSMGBKTGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4/c1-15-6-8(5-14-15)10-9(11)2-7(3-12)4-13-10/h2,4-6H,3,12H2,1H3.
What are the key properties of [5-chloro-6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanamine?
[5-chloro-6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanamine has a molecular weight of 222.68 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 121209283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).