4-(4-chloro-1-propylpyrazol-5-yl)-3-methyloxan-4-ol

C12H19ClN2O2 — CID 114240715

IUPAC4-(4-chloro-1-propylpyrazol-5-yl)-3-methyloxan-4-ol
SMILESCCCn1ncc(Cl)c1C1(O)CCOCC1C
InChIInChI=1S/C12H19ClN2O2/c1-3-5-15-11(10(13)7-14-15)12(16)4-6-17-8-9(12)2/h7,9,16H,3-6,8H2,1-2H3
InChIKeyIWCBIGKDSHNVEW-UHFFFAOYSA-N
MW258.75 g/mol
LogP2.19
Rot. Bonds3

About 4-(4-chloro-1-propylpyrazol-5-yl)-3-methyloxan-4-ol

4-(4-chloro-1-propylpyrazol-5-yl)-3-methyloxan-4-ol (PubChem CID 114240715) has the molecular formula C12H19ClN2O2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 4-(4-chloro-1-propylpyrazol-5-yl)-3-methyloxan-4-ol.

Molecular Properties

Compound Name4-(4-chloro-1-propylpyrazol-5-yl)-3-methyloxan-4-ol
PubChem CID114240715
Molecular FormulaC12H19ClN2O2
Molecular Weight258.75 g/mol
Exact Mass258.11
IUPAC Name4-(4-chloro-1-propylpyrazol-5-yl)-3-methyloxan-4-ol
SMILESCCCn1ncc(Cl)c1C1(O)CCOCC1C
InChIInChI=1S/C12H19ClN2O2/c1-3-5-15-11(10(13)7-14-15)12(16)4-6-17-8-9(12)2/h7,9,16H,3-6,8H2,1-2H3
InChIKeyIWCBIGKDSHNVEW-UHFFFAOYSA-N
XLogP2.19
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chloro-1-propylpyrazol-5-yl)-2-methyloxolan-3-ol
CID 114637906
1-(4-chloro-1-propylpyrazol-5-yl)-2-methylcyclopentan-1-ol
CID 114636173
1-(4-chloro-1-propylpyrazol-5-yl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 114633090
3-(4-chloro-1-propylpyrazol-5-yl)piperidin-3-ol
CID 114633980
4-(4-chloro-1-propylpyrazol-5-yl)-1-ethylazepan-4-ol
CID 114636201
[4-(aminomethyl)oxan-4-yl]-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 114670803
5-(4-chloro-1-propylpyrazol-5-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 114633273
2-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylazepane
CID 114657376
4-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethyl-2-methyloxan-4-ol
CID 114635870
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-propylcyclohexan-1-ol
CID 114633115
1-(4-methoxy-1-propylpyrazol-5-yl)-2,5-dimethylcyclohexan-1-ol
CID 114636087
4-(4-bromo-1-propylpyrazol-5-yl)-2,6-dimethyloxan-4-ol
CID 114637699

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-1-propylpyrazol-5-yl)-3-methyloxan-4-ol?
The IUPAC name of 4-(4-chloro-1-propylpyrazol-5-yl)-3-methyloxan-4-ol (CID 114240715) is 4-(4-chloro-1-propylpyrazol-5-yl)-3-methyloxan-4-ol.
What is the SMILES notation for 4-(4-chloro-1-propylpyrazol-5-yl)-3-methyloxan-4-ol?
The canonical SMILES for 4-(4-chloro-1-propylpyrazol-5-yl)-3-methyloxan-4-ol is CCCn1ncc(Cl)c1C1(O)CCOCC1C.
What is the InChIKey of 4-(4-chloro-1-propylpyrazol-5-yl)-3-methyloxan-4-ol?
The InChIKey is IWCBIGKDSHNVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2/c1-3-5-15-11(10(13)7-14-15)12(16)4-6-17-8-9(12)2/h7,9,16H,3-6,8H2,1-2H3.
What are the key properties of 4-(4-chloro-1-propylpyrazol-5-yl)-3-methyloxan-4-ol?
4-(4-chloro-1-propylpyrazol-5-yl)-3-methyloxan-4-ol has a molecular weight of 258.75 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-1-propylpyrazol-5-yl)-3-methyloxan-4-ol is sourced from PubChem (CID 114240715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).