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

C14H18ClN3O — CID 62687699

IUPAC[5-chloro-1-[2-(dimethylamino)ethyl]-3-phenylpyrazol-4-yl]methanol
SMILESCN(C)CCn1nc(-c2ccccc2)c(CO)c1Cl
InChIInChI=1S/C14H18ClN3O/c1-17(2)8-9-18-14(15)12(10-19)13(16-18)11-6-4-3-5-7-11/h3-7,19H,8-10H2,1-2H3
InChIKeyRZAUNEPEYFSHQL-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.26
Rot. Bonds5

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

[5-chloro-1-[2-(dimethylamino)ethyl]-3-phenylpyrazol-4-yl]methanol (PubChem CID 62687699) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is [5-chloro-1-[2-(dimethylamino)ethyl]-3-phenylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-chloro-1-[2-(dimethylamino)ethyl]-3-phenylpyrazol-4-yl]methanol
PubChem CID62687699
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name[5-chloro-1-[2-(dimethylamino)ethyl]-3-phenylpyrazol-4-yl]methanol
SMILESCN(C)CCn1nc(-c2ccccc2)c(CO)c1Cl
InChIInChI=1S/C14H18ClN3O/c1-17(2)8-9-18-14(15)12(10-19)13(16-18)11-6-4-3-5-7-11/h3-7,19H,8-10H2,1-2H3
InChIKeyRZAUNEPEYFSHQL-UHFFFAOYSA-N
XLogP2.26
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-1-[2-(dimethylamino)ethyl]-3-phenylpyrazol-4-yl]methanol?
The IUPAC name of [5-chloro-1-[2-(dimethylamino)ethyl]-3-phenylpyrazol-4-yl]methanol (CID 62687699) is [5-chloro-1-[2-(dimethylamino)ethyl]-3-phenylpyrazol-4-yl]methanol.
What is the SMILES notation for [5-chloro-1-[2-(dimethylamino)ethyl]-3-phenylpyrazol-4-yl]methanol?
The canonical SMILES for [5-chloro-1-[2-(dimethylamino)ethyl]-3-phenylpyrazol-4-yl]methanol is CN(C)CCn1nc(-c2ccccc2)c(CO)c1Cl.
What is the InChIKey of [5-chloro-1-[2-(dimethylamino)ethyl]-3-phenylpyrazol-4-yl]methanol?
The InChIKey is RZAUNEPEYFSHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-17(2)8-9-18-14(15)12(10-19)13(16-18)11-6-4-3-5-7-11/h3-7,19H,8-10H2,1-2H3.
What are the key properties of [5-chloro-1-[2-(dimethylamino)ethyl]-3-phenylpyrazol-4-yl]methanol?
[5-chloro-1-[2-(dimethylamino)ethyl]-3-phenylpyrazol-4-yl]methanol has a molecular weight of 279.77 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-1-[2-(dimethylamino)ethyl]-3-phenylpyrazol-4-yl]methanol is sourced from PubChem (CID 62687699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).