(4-chloro-1-methylpyrazol-5-yl)-(6-methoxynaphthalen-2-yl)methanol

C16H15ClN2O2 — CID 114634999

IUPAC(4-chloro-1-methylpyrazol-5-yl)-(6-methoxynaphthalen-2-yl)methanol
SMILESCOc1ccc2cc(C(O)c3c(Cl)cnn3C)ccc2c1
InChIInChI=1S/C16H15ClN2O2/c1-19-15(14(17)9-18-19)16(20)12-4-3-11-8-13(21-2)6-5-10(11)7-12/h3-9,16,20H,1-2H3
InChIKeyXBGSVNOECCYTNP-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.32
Rot. Bonds3

About (4-chloro-1-methylpyrazol-5-yl)-(6-methoxynaphthalen-2-yl)methanol

(4-chloro-1-methylpyrazol-5-yl)-(6-methoxynaphthalen-2-yl)methanol (PubChem CID 114634999) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-(6-methoxynaphthalen-2-yl)methanol.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)-(6-methoxynaphthalen-2-yl)methanol
PubChem CID114634999
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)-(6-methoxynaphthalen-2-yl)methanol
SMILESCOc1ccc2cc(C(O)c3c(Cl)cnn3C)ccc2c1
InChIInChI=1S/C16H15ClN2O2/c1-19-15(14(17)9-18-19)16(20)12-4-3-11-8-13(21-2)6-5-10(11)7-12/h3-9,16,20H,1-2H3
InChIKeyXBGSVNOECCYTNP-UHFFFAOYSA-N
XLogP3.32
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-methylpyrazol-5-yl)-(3,4,5-trimethoxyphenyl)methanol
CID 114634559
(4-butoxyphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol
CID 105129781
(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 114634286
(4-chloro-1-methylpyrazol-5-yl)-[4-(2-methylpropyl)phenyl]methanol
CID 114637035
(4-bromo-1-methylpyrazol-5-yl)-(3,4-dichlorophenyl)methanol
CID 114634413
(3-bromo-5-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol
CID 107947833
1-(4-chloro-1-methylpyrazol-5-yl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine
CID 105046678
(4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol
CID 105129852
(4-chloro-1-methylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanol
CID 105066457
[(4-chloro-1-methylpyrazol-5-yl)-(3-methoxyphenyl)methyl]hydrazine
CID 105191750
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-methoxy-4-methylphenyl)methanol
CID 115839458
(6-methoxynaphthalen-2-yl)-(1,3-thiazol-5-yl)methanol
CID 22018460

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(6-methoxynaphthalen-2-yl)methanol?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(6-methoxynaphthalen-2-yl)methanol (CID 114634999) is (4-chloro-1-methylpyrazol-5-yl)-(6-methoxynaphthalen-2-yl)methanol.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-(6-methoxynaphthalen-2-yl)methanol?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-(6-methoxynaphthalen-2-yl)methanol is COc1ccc2cc(C(O)c3c(Cl)cnn3C)ccc2c1.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-(6-methoxynaphthalen-2-yl)methanol?
The InChIKey is XBGSVNOECCYTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-19-15(14(17)9-18-19)16(20)12-4-3-11-8-13(21-2)6-5-10(11)7-12/h3-9,16,20H,1-2H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-(6-methoxynaphthalen-2-yl)methanol?
(4-chloro-1-methylpyrazol-5-yl)-(6-methoxynaphthalen-2-yl)methanol has a molecular weight of 302.76 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-5-yl)-(6-methoxynaphthalen-2-yl)methanol is sourced from PubChem (CID 114634999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).