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

C11H13ClN4 — CID 115585005

IUPACN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine
SMILESCc1nn(C)c(Cl)c1CNc1ccccn1
InChIInChI=1S/C11H13ClN4/c1-8-9(11(12)16(2)15-8)7-14-10-5-3-4-6-13-10/h3-6H,7H2,1-2H3,(H,13,14)
InChIKeyUURLTDZRAPJUSL-UHFFFAOYSA-N
MW236.71 g/mol
LogP2.39
Rot. Bonds3

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

N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine (PubChem CID 115585005) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine
PubChem CID115585005
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC NameN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine
SMILESCc1nn(C)c(Cl)c1CNc1ccccn1
InChIInChI=1S/C11H13ClN4/c1-8-9(11(12)16(2)15-8)7-14-10-5-3-4-6-13-10/h3-6H,7H2,1-2H3,(H,13,14)
InChIKeyUURLTDZRAPJUSL-UHFFFAOYSA-N
XLogP2.39
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-fluoroaniline
CID 115584977
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(trifluoromethyl)aniline
CID 115743352
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylsulfanylaniline
CID 115585074
N-[(2-methyl-3-pyridinyl)methyl]pyridin-2-amine
CID 115692595
3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]benzonitrile
CID 115884776
3-bromo-4-chloro-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]aniline
CID 113359155
2-[(pyridin-2-ylamino)methyl]benzene-1,3-diol
CID 45093433
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105180268
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3,5-dimethoxyaniline
CID 115585039
2-chloro-3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]pyridine
CID 115634537
4-chloro-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-methoxyaniline
CID 107268146
3-chloro-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-5-fluoroaniline
CID 103818410

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine?
The IUPAC name of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine (CID 115585005) is N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine is Cc1nn(C)c(Cl)c1CNc1ccccn1.
What is the InChIKey of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine?
The InChIKey is UURLTDZRAPJUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-8-9(11(12)16(2)15-8)7-14-10-5-3-4-6-13-10/h3-6H,7H2,1-2H3,(H,13,14).
What are the key properties of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine?
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine has a molecular weight of 236.71 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 115585005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).