3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropylpropan-1-ol

C13H22ClN3O — CID 114664997

IUPAC3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropylpropan-1-ol
SMILESCN(C)CCn1ncc(Cl)c1CCC(O)C1CC1
InChIInChI=1S/C13H22ClN3O/c1-16(2)7-8-17-12(11(14)9-15-17)5-6-13(18)10-3-4-10/h9-10,13,18H,3-8H2,1-2H3
InChIKeyANGMNRBZMWNTCC-UHFFFAOYSA-N
MW271.79 g/mol
LogP1.80
Rot. Bonds7

About 3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropylpropan-1-ol

3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropylpropan-1-ol (PubChem CID 114664997) has the molecular formula C13H22ClN3O and a molecular weight of 271.79 g/mol. Its IUPAC name is 3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropylpropan-1-ol.

Molecular Properties

Compound Name3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropylpropan-1-ol
PubChem CID114664997
Molecular FormulaC13H22ClN3O
Molecular Weight271.79 g/mol
Exact Mass271.15
IUPAC Name3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropylpropan-1-ol
SMILESCN(C)CCn1ncc(Cl)c1CCC(O)C1CC1
InChIInChI=1S/C13H22ClN3O/c1-16(2)7-8-17-12(11(14)9-15-17)5-6-13(18)10-3-4-10/h9-10,13,18H,3-8H2,1-2H3
InChIKeyANGMNRBZMWNTCC-UHFFFAOYSA-N
XLogP1.80
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropyl-N-ethylpropan-1-amine
CID 114664348
3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropyl-N-propylpropan-1-amine
CID 114664361
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]pentan-3-amine
CID 114663857
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(thiolan-3-yl)methanol
CID 105127294
4-chloro-5-(3-chloro-3-cyclopropylpropyl)-1-propylpyrazole
CID 114665292
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-methylhexan-3-amine
CID 114664173
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-cyclopentylpropan-1-ol
CID 115834359
2-[5-(3-chloro-3-cyclopropylpropyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114665294
4-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-2-one
CID 114663500
6-bicyclo[3.1.0]hexanyl-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanol
CID 115834227
2-[5-(aminomethyl)-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 114652025
3-(4-bromo-1-methylpyrazol-5-yl)-1-cyclopropylpropan-1-ol
CID 114665001

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropylpropan-1-ol?
The IUPAC name of 3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropylpropan-1-ol (CID 114664997) is 3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropylpropan-1-ol.
What is the SMILES notation for 3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropylpropan-1-ol?
The canonical SMILES for 3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropylpropan-1-ol is CN(C)CCn1ncc(Cl)c1CCC(O)C1CC1.
What is the InChIKey of 3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropylpropan-1-ol?
The InChIKey is ANGMNRBZMWNTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O/c1-16(2)7-8-17-12(11(14)9-15-17)5-6-13(18)10-3-4-10/h9-10,13,18H,3-8H2,1-2H3.
What are the key properties of 3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropylpropan-1-ol?
3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropylpropan-1-ol has a molecular weight of 271.79 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropylpropan-1-ol is sourced from PubChem (CID 114664997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).