(S)-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-thiophen-2-ylmethanol

C15H13ClN2OS — CID 1479305

IUPAC(S)-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-thiophen-2-ylmethanol
SMILESCn1nc(-c2ccccc2)c([C@H](O)c2cccs2)c1Cl
InChIInChI=1S/C15H13ClN2OS/c1-18-15(16)12(14(19)11-8-5-9-20-11)13(17-18)10-6-3-2-4-7-10/h2-9,14,19H,1H3/t14-/m1/s1
InChIKeyIXENXWCHAVNGCN-CQSZACIVSA-N
MW304.80 g/mol
LogP3.88
Rot. Bonds3

About (S)-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-thiophen-2-ylmethanol

(S)-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-thiophen-2-ylmethanol (PubChem CID 1479305) has the molecular formula C15H13ClN2OS and a molecular weight of 304.80 g/mol. Its IUPAC name is (S)-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-thiophen-2-ylmethanol.

Molecular Properties

Compound Name(S)-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-thiophen-2-ylmethanol
PubChem CID1479305
Molecular FormulaC15H13ClN2OS
Molecular Weight304.80 g/mol
Exact Mass304.04
IUPAC Name(S)-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-thiophen-2-ylmethanol
SMILESCn1nc(-c2ccccc2)c([C@H](O)c2cccs2)c1Cl
InChIInChI=1S/C15H13ClN2OS/c1-18-15(16)12(14(19)11-8-5-9-20-11)13(17-18)10-6-3-2-4-7-10/h2-9,14,19H,1H3/t14-/m1/s1
InChIKeyIXENXWCHAVNGCN-CQSZACIVSA-N
XLogP3.88
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)-1-propanol
CID 3756816
1-(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)-1-ethanol
CID 3838438
1-(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)-3-buten-1-ol
CID 3560876
(1-{[3-(3-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-piperidinyl)(2-thienyl)methanol
CID 16191395
1-(1-Methyl-3-thiophen-3-ylpyrazol-5-yl)ethane-1,2-diol
CID 155559694
[5-(3,5-Dichlorophenyl)sulfanyl-1-isopropyl-4-(2-thienylmethyl)pyrazol-3-yl]methanol
CID 514449
(1,5-dimethyl-1H-pyrazol-3-yl)(thiophen-3-yl)methanol
CID 121553669
(3R,4S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(3-methylthiophen-2-yl)piperidin-3-ol
CID 164637186
alpha-[[Methyl[[5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-thienyl]methyl]amino]methyl]-benzenemethanol
CID 10000765
Cyclohexyl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol
CID 58955827
Cyclohexyl-[5-[1,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol
CID 58955830
Cyclohexyl-[5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]methanol
CID 143534018

Frequently Asked Questions

What is the IUPAC name of (S)-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-thiophen-2-ylmethanol?
The IUPAC name of (S)-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-thiophen-2-ylmethanol (CID 1479305) is (S)-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-thiophen-2-ylmethanol.
What is the SMILES notation for (S)-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-thiophen-2-ylmethanol?
The canonical SMILES for (S)-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-thiophen-2-ylmethanol is Cn1nc(-c2ccccc2)c([C@H](O)c2cccs2)c1Cl.
What is the InChIKey of (S)-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-thiophen-2-ylmethanol?
The InChIKey is IXENXWCHAVNGCN-CQSZACIVSA-N. The full InChI is InChI=1S/C15H13ClN2OS/c1-18-15(16)12(14(19)11-8-5-9-20-11)13(17-18)10-6-3-2-4-7-10/h2-9,14,19H,1H3/t14-/m1/s1.
What are the key properties of (S)-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-thiophen-2-ylmethanol?
(S)-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-thiophen-2-ylmethanol has a molecular weight of 304.80 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-thiophen-2-ylmethanol is sourced from PubChem (CID 1479305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).