[3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-6-methyl-2-pyridinyl]methanol

C13H16ClN3O2 — CID 79156679

IUPAC[3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-6-methyl-2-pyridinyl]methanol
SMILESCc1ccc(OCc2c(Cl)c(C)nn2C)c(CO)n1
InChIInChI=1S/C13H16ClN3O2/c1-8-4-5-12(10(6-18)15-8)19-7-11-13(14)9(2)16-17(11)3/h4-5,18H,6-7H2,1-3H3
InChIKeySRCJTOKKBPEJFP-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.16
Rot. Bonds4

About [3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-6-methyl-2-pyridinyl]methanol

[3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-6-methyl-2-pyridinyl]methanol (PubChem CID 79156679) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is [3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-6-methyl-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-6-methyl-2-pyridinyl]methanol
PubChem CID79156679
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name[3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-6-methyl-2-pyridinyl]methanol
SMILESCc1ccc(OCc2c(Cl)c(C)nn2C)c(CO)n1
InChIInChI=1S/C13H16ClN3O2/c1-8-4-5-12(10(6-18)15-8)19-7-11-13(14)9(2)16-17(11)3/h4-5,18H,6-7H2,1-3H3
InChIKeySRCJTOKKBPEJFP-UHFFFAOYSA-N
XLogP2.16
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-6-methyl-2-pyridinyl]methanol?
The IUPAC name of [3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-6-methyl-2-pyridinyl]methanol (CID 79156679) is [3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-6-methyl-2-pyridinyl]methanol.
What is the SMILES notation for [3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-6-methyl-2-pyridinyl]methanol?
The canonical SMILES for [3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-6-methyl-2-pyridinyl]methanol is Cc1ccc(OCc2c(Cl)c(C)nn2C)c(CO)n1.
What is the InChIKey of [3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-6-methyl-2-pyridinyl]methanol?
The InChIKey is SRCJTOKKBPEJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-8-4-5-12(10(6-18)15-8)19-7-11-13(14)9(2)16-17(11)3/h4-5,18H,6-7H2,1-3H3.
What are the key properties of [3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-6-methyl-2-pyridinyl]methanol?
[3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-6-methyl-2-pyridinyl]methanol has a molecular weight of 281.74 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-6-methyl-2-pyridinyl]methanol is sourced from PubChem (CID 79156679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).