[5-chloro-3-cyclopropyl-1-[2-(dimethylamino)ethyl]pyrazol-4-yl]methanol

C11H18ClN3O — CID 63353943

IUPAC[5-chloro-3-cyclopropyl-1-[2-(dimethylamino)ethyl]pyrazol-4-yl]methanol
SMILESCN(C)CCn1nc(C2CC2)c(CO)c1Cl
InChIInChI=1S/C11H18ClN3O/c1-14(2)5-6-15-11(12)9(7-16)10(13-15)8-3-4-8/h8,16H,3-7H2,1-2H3
InChIKeyFFAMASSNWHBNDN-UHFFFAOYSA-N
MW243.74 g/mol
LogP1.47
Rot. Bonds5

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

[5-chloro-3-cyclopropyl-1-[2-(dimethylamino)ethyl]pyrazol-4-yl]methanol (PubChem CID 63353943) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is [5-chloro-3-cyclopropyl-1-[2-(dimethylamino)ethyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-chloro-3-cyclopropyl-1-[2-(dimethylamino)ethyl]pyrazol-4-yl]methanol
PubChem CID63353943
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name[5-chloro-3-cyclopropyl-1-[2-(dimethylamino)ethyl]pyrazol-4-yl]methanol
SMILESCN(C)CCn1nc(C2CC2)c(CO)c1Cl
InChIInChI=1S/C11H18ClN3O/c1-14(2)5-6-15-11(12)9(7-16)10(13-15)8-3-4-8/h8,16H,3-7H2,1-2H3
InChIKeyFFAMASSNWHBNDN-UHFFFAOYSA-N
XLogP1.47
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-3-cyclopropyl-1-[2-(dimethylamino)ethyl]pyrazol-4-yl]methanol?
The IUPAC name of [5-chloro-3-cyclopropyl-1-[2-(dimethylamino)ethyl]pyrazol-4-yl]methanol (CID 63353943) is [5-chloro-3-cyclopropyl-1-[2-(dimethylamino)ethyl]pyrazol-4-yl]methanol.
What is the SMILES notation for [5-chloro-3-cyclopropyl-1-[2-(dimethylamino)ethyl]pyrazol-4-yl]methanol?
The canonical SMILES for [5-chloro-3-cyclopropyl-1-[2-(dimethylamino)ethyl]pyrazol-4-yl]methanol is CN(C)CCn1nc(C2CC2)c(CO)c1Cl.
What is the InChIKey of [5-chloro-3-cyclopropyl-1-[2-(dimethylamino)ethyl]pyrazol-4-yl]methanol?
The InChIKey is FFAMASSNWHBNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-14(2)5-6-15-11(12)9(7-16)10(13-15)8-3-4-8/h8,16H,3-7H2,1-2H3.
What are the key properties of [5-chloro-3-cyclopropyl-1-[2-(dimethylamino)ethyl]pyrazol-4-yl]methanol?
[5-chloro-3-cyclopropyl-1-[2-(dimethylamino)ethyl]pyrazol-4-yl]methanol has a molecular weight of 243.74 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-3-cyclopropyl-1-[2-(dimethylamino)ethyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 63353943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).