(2,5-dichlorothiophen-3-yl)-(2-propylpyrazol-3-yl)methanol

C11H12Cl2N2OS — CID 107969661

IUPAC(2,5-dichlorothiophen-3-yl)-(2-propylpyrazol-3-yl)methanol
SMILESCCCn1nccc1C(O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H12Cl2N2OS/c1-2-5-15-8(3-4-14-15)10(16)7-6-9(12)17-11(7)13/h3-4,6,10,16H,2,5H2,1H3
InChIKeyBMCGJACRQVECRF-UHFFFAOYSA-N
MW291.20 g/mol
LogP3.74
Rot. Bonds4

About (2,5-dichlorothiophen-3-yl)-(2-propylpyrazol-3-yl)methanol

(2,5-dichlorothiophen-3-yl)-(2-propylpyrazol-3-yl)methanol (PubChem CID 107969661) has the molecular formula C11H12Cl2N2OS and a molecular weight of 291.20 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(2-propylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(2-propylpyrazol-3-yl)methanol
PubChem CID107969661
Molecular FormulaC11H12Cl2N2OS
Molecular Weight291.20 g/mol
Exact Mass290.00
IUPAC Name(2,5-dichlorothiophen-3-yl)-(2-propylpyrazol-3-yl)methanol
SMILESCCCn1nccc1C(O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H12Cl2N2OS/c1-2-5-15-8(3-4-14-15)10(16)7-6-9(12)17-11(7)13/h3-4,6,10,16H,2,5H2,1H3
InChIKeyBMCGJACRQVECRF-UHFFFAOYSA-N
XLogP3.74
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.20
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1,5-dimethyl-1H-pyrazol-3-yl)(thiophen-3-yl)methanol
CID 121553669
(1-Methyl-1H-pyrazol-5-yl)(3-methylthiophen-2-yl)methanol
CID 11600915
(2-Methylpyrazol-3-yl)-(5-methylthiophen-2-yl)methanol
CID 21909082
(2-Methylpyrazol-3-yl)-thiophen-3-ylmethanol
CID 63963692
N-[1-(2-butylpyrazol-3-yl)-2-ethylbutyl]-N-[3-[(2-butylpyrazol-3-yl)-hydroxymethyl]pentyl]-5-chlorothiophene-2-sulfonamide
CID 69546460
(2-Methylpyrazol-3-yl)-(4-methylthiophen-2-yl)methanol
CID 69789370
(S)-(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methanol
CID 121429593
(R)-(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methanol
CID 132016681
(2-Ethylpyrazol-3-yl)-(5-methylthiophen-2-yl)methanol
CID 49962679
(2-Ethylpyrazol-3-yl)-(3-methylthiophen-2-yl)methanol
CID 49962807
(2-Ethylpyrazol-3-yl)-thiophen-2-ylmethanol
CID 49963948
(5-Chlorothiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol
CID 62276328

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-(2-propylpyrazol-3-yl)methanol?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(2-propylpyrazol-3-yl)methanol (CID 107969661) is (2,5-dichlorothiophen-3-yl)-(2-propylpyrazol-3-yl)methanol.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(2-propylpyrazol-3-yl)methanol?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(2-propylpyrazol-3-yl)methanol is CCCn1nccc1C(O)c1cc(Cl)sc1Cl.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(2-propylpyrazol-3-yl)methanol?
The InChIKey is BMCGJACRQVECRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2OS/c1-2-5-15-8(3-4-14-15)10(16)7-6-9(12)17-11(7)13/h3-4,6,10,16H,2,5H2,1H3.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(2-propylpyrazol-3-yl)methanol?
(2,5-dichlorothiophen-3-yl)-(2-propylpyrazol-3-yl)methanol has a molecular weight of 291.20 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-(2-propylpyrazol-3-yl)methanol is sourced from PubChem (CID 107969661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).