2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyridin-4-amine

C11H13ClN4 — CID 79251384

IUPAC2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyridin-4-amine
SMILESCc1nn(Cc2cc(N)ccn2)c(C)c1Cl
InChIInChI=1S/C11H13ClN4/c1-7-11(12)8(2)16(15-7)6-10-5-9(13)3-4-14-10/h3-5H,6H2,1-2H3,(H2,13,14)
InChIKeyJOYWZYKNQYFZAJ-UHFFFAOYSA-N
MW236.71 g/mol
LogP2.18
Rot. Bonds2

About 2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyridin-4-amine

2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyridin-4-amine (PubChem CID 79251384) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyridin-4-amine
PubChem CID79251384
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyridin-4-amine
SMILESCc1nn(Cc2cc(N)ccn2)c(C)c1Cl
InChIInChI=1S/C11H13ClN4/c1-7-11(12)8(2)16(15-7)6-10-5-9(13)3-4-14-10/h3-5H,6H2,1-2H3,(H2,13,14)
InChIKeyJOYWZYKNQYFZAJ-UHFFFAOYSA-N
XLogP2.18
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyridin-4-amine?
The IUPAC name of 2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyridin-4-amine (CID 79251384) is 2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyridin-4-amine.
What is the SMILES notation for 2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyridin-4-amine?
The canonical SMILES for 2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyridin-4-amine is Cc1nn(Cc2cc(N)ccn2)c(C)c1Cl.
What is the InChIKey of 2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyridin-4-amine?
The InChIKey is JOYWZYKNQYFZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-7-11(12)8(2)16(15-7)6-10-5-9(13)3-4-14-10/h3-5H,6H2,1-2H3,(H2,13,14).
What are the key properties of 2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyridin-4-amine?
2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyridin-4-amine has a molecular weight of 236.71 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 79251384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).