3-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine

C11H13ClN4 — CID 71924498

IUPAC3-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine
SMILESCN(Cc1cnn(C)c1)c1ccncc1Cl
InChIInChI=1S/C11H13ClN4/c1-15(7-9-5-14-16(2)8-9)11-3-4-13-6-10(11)12/h3-6,8H,7H2,1-2H3
InChIKeyGYQJKNXJUWISBU-UHFFFAOYSA-N
MW236.71 g/mol
LogP2.10
Rot. Bonds3

About 3-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine

3-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine (PubChem CID 71924498) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name3-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine
PubChem CID71924498
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name3-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine
SMILESCN(Cc1cnn(C)c1)c1ccncc1Cl
InChIInChI=1S/C11H13ClN4/c1-15(7-9-5-14-16(2)8-9)11-3-4-13-6-10(11)12/h3-6,8H,7H2,1-2H3
InChIKeyGYQJKNXJUWISBU-UHFFFAOYSA-N
XLogP2.10
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine?
The IUPAC name of 3-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine (CID 71924498) is 3-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine.
What is the SMILES notation for 3-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine?
The canonical SMILES for 3-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine is CN(Cc1cnn(C)c1)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine?
The InChIKey is GYQJKNXJUWISBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-15(7-9-5-14-16(2)8-9)11-3-4-13-6-10(11)12/h3-6,8H,7H2,1-2H3.
What are the key properties of 3-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine?
3-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine has a molecular weight of 236.71 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 71924498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).