(5-chloro-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol

C12H14ClN3O2 — CID 114644895

IUPAC(5-chloro-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
SMILESCCn1ncc(OC)c1C(O)c1ccc(Cl)cn1
InChIInChI=1S/C12H14ClN3O2/c1-3-16-11(10(18-2)7-15-16)12(17)9-5-4-8(13)6-14-9/h4-7,12,17H,3H2,1-2H3
InChIKeyRCZYKVVQINZRBD-UHFFFAOYSA-N
MW267.72 g/mol
LogP2.04
Rot. Bonds4

About (5-chloro-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol

(5-chloro-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol (PubChem CID 114644895) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is (5-chloro-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol.

Molecular Properties

Compound Name(5-chloro-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
PubChem CID114644895
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name(5-chloro-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
SMILESCCn1ncc(OC)c1C(O)c1ccc(Cl)cn1
InChIInChI=1S/C12H14ClN3O2/c1-3-16-11(10(18-2)7-15-16)12(17)9-5-4-8(13)6-14-9/h4-7,12,17H,3H2,1-2H3
InChIKeyRCZYKVVQINZRBD-UHFFFAOYSA-N
XLogP2.04
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114635408
(1-ethyl-4-methoxypyrazol-5-yl)-pyridin-4-ylmethanol
CID 114634373
(2-chloro-6-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114634594
(1-ethyl-4-methoxypyrazol-5-yl)-(2-ethylpyrazol-3-yl)methanol
CID 114638723
(4-chloro-2,5-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 115837195
(2-chloro-4-methylphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 106859558
(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-4-methoxyphenyl)methanol
CID 114636339
(3-bromo-4-chlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114638058
(5-bromo-2-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114634963
(5-bromo-2-pyridinyl)-(4-chloro-1-ethylpyrazol-5-yl)methanol
CID 114638191
(1-ethyl-4-methoxypyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol
CID 115837106
(2,4-dimethoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114634383

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol?
The IUPAC name of (5-chloro-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol (CID 114644895) is (5-chloro-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol.
What is the SMILES notation for (5-chloro-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol?
The canonical SMILES for (5-chloro-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol is CCn1ncc(OC)c1C(O)c1ccc(Cl)cn1.
What is the InChIKey of (5-chloro-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol?
The InChIKey is RCZYKVVQINZRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-3-16-11(10(18-2)7-15-16)12(17)9-5-4-8(13)6-14-9/h4-7,12,17H,3H2,1-2H3.
What are the key properties of (5-chloro-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol?
(5-chloro-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol has a molecular weight of 267.72 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol is sourced from PubChem (CID 114644895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).