3-(5-amino-1-methylpyrazol-4-yl)-1-chloro-5,6,7,8-tetrahydronaphthalen-2-ol

C14H16ClN3O — CID 117445259

IUPAC3-(5-amino-1-methylpyrazol-4-yl)-1-chloro-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCn1ncc(-c2cc3c(c(Cl)c2O)CCCC3)c1N
InChIInChI=1S/C14H16ClN3O/c1-18-14(16)11(7-17-18)10-6-8-4-2-3-5-9(8)12(15)13(10)19/h6-7,19H,2-5,16H2,1H3
InChIKeyVZSFXQAWFVNQTC-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.91
Rot. Bonds1

About 3-(5-amino-1-methylpyrazol-4-yl)-1-chloro-5,6,7,8-tetrahydronaphthalen-2-ol

3-(5-amino-1-methylpyrazol-4-yl)-1-chloro-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 117445259) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 3-(5-amino-1-methylpyrazol-4-yl)-1-chloro-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name3-(5-amino-1-methylpyrazol-4-yl)-1-chloro-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID117445259
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name3-(5-amino-1-methylpyrazol-4-yl)-1-chloro-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCn1ncc(-c2cc3c(c(Cl)c2O)CCCC3)c1N
InChIInChI=1S/C14H16ClN3O/c1-18-14(16)11(7-17-18)10-6-8-4-2-3-5-9(8)12(15)13(10)19/h6-7,19H,2-5,16H2,1H3
InChIKeyVZSFXQAWFVNQTC-UHFFFAOYSA-N
XLogP2.91
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-1-methylpyrazol-4-yl)-1-chloro-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 3-(5-amino-1-methylpyrazol-4-yl)-1-chloro-5,6,7,8-tetrahydronaphthalen-2-ol (CID 117445259) is 3-(5-amino-1-methylpyrazol-4-yl)-1-chloro-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 3-(5-amino-1-methylpyrazol-4-yl)-1-chloro-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 3-(5-amino-1-methylpyrazol-4-yl)-1-chloro-5,6,7,8-tetrahydronaphthalen-2-ol is Cn1ncc(-c2cc3c(c(Cl)c2O)CCCC3)c1N.
What is the InChIKey of 3-(5-amino-1-methylpyrazol-4-yl)-1-chloro-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is VZSFXQAWFVNQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-18-14(16)11(7-17-18)10-6-8-4-2-3-5-9(8)12(15)13(10)19/h6-7,19H,2-5,16H2,1H3.
What are the key properties of 3-(5-amino-1-methylpyrazol-4-yl)-1-chloro-5,6,7,8-tetrahydronaphthalen-2-ol?
3-(5-amino-1-methylpyrazol-4-yl)-1-chloro-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 277.75 g/mol, XLogP of 2.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-1-methylpyrazol-4-yl)-1-chloro-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 117445259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).