4-(4-chloro-1-propylpyrazol-5-yl)-1-ethylazepan-4-ol

C14H24ClN3O — CID 114636201

IUPAC4-(4-chloro-1-propylpyrazol-5-yl)-1-ethylazepan-4-ol
SMILESCCCn1ncc(Cl)c1C1(O)CCCN(CC)CC1
InChIInChI=1S/C14H24ClN3O/c1-3-8-18-13(12(15)11-16-18)14(19)6-5-9-17(4-2)10-7-14/h11,19H,3-10H2,1-2H3
InChIKeyLLLPRFDKBPQNCW-UHFFFAOYSA-N
MW285.82 g/mol
LogP2.64
Rot. Bonds4

About 4-(4-chloro-1-propylpyrazol-5-yl)-1-ethylazepan-4-ol

4-(4-chloro-1-propylpyrazol-5-yl)-1-ethylazepan-4-ol (PubChem CID 114636201) has the molecular formula C14H24ClN3O and a molecular weight of 285.82 g/mol. Its IUPAC name is 4-(4-chloro-1-propylpyrazol-5-yl)-1-ethylazepan-4-ol.

Molecular Properties

Compound Name4-(4-chloro-1-propylpyrazol-5-yl)-1-ethylazepan-4-ol
PubChem CID114636201
Molecular FormulaC14H24ClN3O
Molecular Weight285.82 g/mol
Exact Mass285.16
IUPAC Name4-(4-chloro-1-propylpyrazol-5-yl)-1-ethylazepan-4-ol
SMILESCCCn1ncc(Cl)c1C1(O)CCCN(CC)CC1
InChIInChI=1S/C14H24ClN3O/c1-3-8-18-13(12(15)11-16-18)14(19)6-5-9-17(4-2)10-7-14/h11,19H,3-10H2,1-2H3
InChIKeyLLLPRFDKBPQNCW-UHFFFAOYSA-N
XLogP2.64
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chloro-1-propylpyrazol-5-yl)piperidin-3-ol
CID 114633980
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]cyclobutan-1-ol
CID 114636731
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]cycloheptan-1-ol
CID 114633263
1-(4-chloro-1-propylpyrazol-5-yl)-2-methylcyclopentan-1-ol
CID 114636173
3-(4-chloro-1-propylpyrazol-5-yl)-2-methyloxolan-3-ol
CID 114637906
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-propylcycloheptan-1-ol
CID 114636297
4-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-propan-2-ylpiperidin-4-ol
CID 114633711
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-4-methylcycloheptan-1-ol
CID 114636258
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-propylcyclohexan-1-ol
CID 114633115
5-(4-chloro-1-propylpyrazol-5-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 114633273
4-(4-chloro-1-propylpyrazol-5-yl)-3-methyloxan-4-ol
CID 114240715
3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropylpyrrolidin-3-ol
CID 114633883

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-1-propylpyrazol-5-yl)-1-ethylazepan-4-ol?
The IUPAC name of 4-(4-chloro-1-propylpyrazol-5-yl)-1-ethylazepan-4-ol (CID 114636201) is 4-(4-chloro-1-propylpyrazol-5-yl)-1-ethylazepan-4-ol.
What is the SMILES notation for 4-(4-chloro-1-propylpyrazol-5-yl)-1-ethylazepan-4-ol?
The canonical SMILES for 4-(4-chloro-1-propylpyrazol-5-yl)-1-ethylazepan-4-ol is CCCn1ncc(Cl)c1C1(O)CCCN(CC)CC1.
What is the InChIKey of 4-(4-chloro-1-propylpyrazol-5-yl)-1-ethylazepan-4-ol?
The InChIKey is LLLPRFDKBPQNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O/c1-3-8-18-13(12(15)11-16-18)14(19)6-5-9-17(4-2)10-7-14/h11,19H,3-10H2,1-2H3.
What are the key properties of 4-(4-chloro-1-propylpyrazol-5-yl)-1-ethylazepan-4-ol?
4-(4-chloro-1-propylpyrazol-5-yl)-1-ethylazepan-4-ol has a molecular weight of 285.82 g/mol, XLogP of 2.64, 4 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)-1-ethylazepan-4-ol is sourced from PubChem (CID 114636201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).