(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-2-pyridinyl)methanol

C14H18ClN3O — CID 114645350

IUPAC(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-2-pyridinyl)methanol
SMILESCCc1cccnc1C(O)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C14H18ClN3O/c1-4-10-6-5-7-16-12(10)14(19)13-11(15)8-17-18(13)9(2)3/h5-9,14,19H,4H2,1-3H3
InChIKeyXJTPAOPIYWBHIQ-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.16
Rot. Bonds4

About (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-2-pyridinyl)methanol

(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-2-pyridinyl)methanol (PubChem CID 114645350) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-2-pyridinyl)methanol.

Molecular Properties

Compound Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-2-pyridinyl)methanol
PubChem CID114645350
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-2-pyridinyl)methanol
SMILESCCc1cccnc1C(O)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C14H18ClN3O/c1-4-10-6-5-7-16-12(10)14(19)13-11(15)8-17-18(13)9(2)3/h5-9,14,19H,4H2,1-3H3
InChIKeyXJTPAOPIYWBHIQ-UHFFFAOYSA-N
XLogP3.16
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethyl-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114645343
1-(3-ethyl-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 82729587
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-ethyl-2-pyridinyl)-N-methylmethanamine
CID 114660043
[(3-ethyl-2-pyridinyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105263810
(4-chloro-1-propan-2-ylpyrazol-5-yl)-pyridazin-4-ylmethanol
CID 105128171
N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2-ethylphenyl)methyl]ethanamine
CID 105041822
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2,2-dimethylbutan-1-ol
CID 115835241
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1,3-thiazol-2-yl)methanol
CID 114638156
(4-chloro-1-propan-2-ylpyrazol-5-yl)-quinoxalin-6-ylmethanol
CID 114643685
[(4-chloro-1-propylpyrazol-5-yl)-(3-ethyl-2-pyridinyl)methyl]hydrazine
CID 105263746
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-ol
CID 114635180
(4-chloro-1-methylpyrazol-5-yl)-(3-fluoro-2-pyridinyl)methanol
CID 114645125

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-2-pyridinyl)methanol?
The IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-2-pyridinyl)methanol (CID 114645350) is (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-2-pyridinyl)methanol.
What is the SMILES notation for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-2-pyridinyl)methanol?
The canonical SMILES for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-2-pyridinyl)methanol is CCc1cccnc1C(O)c1c(Cl)cnn1C(C)C.
What is the InChIKey of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-2-pyridinyl)methanol?
The InChIKey is XJTPAOPIYWBHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-4-10-6-5-7-16-12(10)14(19)13-11(15)8-17-18(13)9(2)3/h5-9,14,19H,4H2,1-3H3.
What are the key properties of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-2-pyridinyl)methanol?
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-2-pyridinyl)methanol has a molecular weight of 279.77 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-2-pyridinyl)methanol is sourced from PubChem (CID 114645350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).