4-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]pyridin-2-amine

C12H15ClN4O — CID 114663333

IUPAC4-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]pyridin-2-amine
SMILESCOCCn1ncc(Cl)c1Cc1ccnc(N)c1
InChIInChI=1S/C12H15ClN4O/c1-18-5-4-17-11(10(13)8-16-17)6-9-2-3-15-12(14)7-9/h2-3,7-8H,4-6H2,1H3,(H2,14,15)
InChIKeyYIOKNDBFZBMKEX-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.75
Rot. Bonds5

About 4-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]pyridin-2-amine

4-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]pyridin-2-amine (PubChem CID 114663333) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is 4-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]pyridin-2-amine
PubChem CID114663333
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name4-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]pyridin-2-amine
SMILESCOCCn1ncc(Cl)c1Cc1ccnc(N)c1
InChIInChI=1S/C12H15ClN4O/c1-18-5-4-17-11(10(13)8-16-17)6-9-2-3-15-12(14)7-9/h2-3,7-8H,4-6H2,1H3,(H2,14,15)
InChIKeyYIOKNDBFZBMKEX-UHFFFAOYSA-N
XLogP1.75
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]-1,2,3,4-tetrahydroquinoline
CID 114662267
4-[(4-bromo-1-ethylpyrazol-5-yl)methyl]pyridin-2-amine
CID 114663323
2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]ethanol
CID 114662418
4-[(3,4-dichlorophenyl)methyl]pyridin-2-amine
CID 54402411
4,5-dichloro-2-(2-methoxyethyl)pyridazin-3-one
CID 66864935
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-pyridin-4-ylpropan-1-ol
CID 105132599
(4-amino-3-chlorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone
CID 114669775
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3,4-difluorophenyl)methanamine
CID 114646619
3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-phenylpropan-1-amine
CID 114664422
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]decan-1-amine
CID 105054591
4-chloro-1-(2-methoxyethyl)pyrazole-5-carbaldehyde
CID 114640195
[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-difluoroethyl]hydrazine
CID 105265036

Frequently Asked Questions

What is the IUPAC name of 4-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]pyridin-2-amine?
The IUPAC name of 4-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]pyridin-2-amine (CID 114663333) is 4-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 4-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]pyridin-2-amine?
The canonical SMILES for 4-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]pyridin-2-amine is COCCn1ncc(Cl)c1Cc1ccnc(N)c1.
What is the InChIKey of 4-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]pyridin-2-amine?
The InChIKey is YIOKNDBFZBMKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O/c1-18-5-4-17-11(10(13)8-16-17)6-9-2-3-15-12(14)7-9/h2-3,7-8H,4-6H2,1H3,(H2,14,15).
What are the key properties of 4-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]pyridin-2-amine?
4-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]pyridin-2-amine has a molecular weight of 266.73 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 114663333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).