1-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-phenylpropan-2-ol

C14H18ClN3O — CID 64820768

IUPAC1-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-phenylpropan-2-ol
SMILESCc1nn(CC(O)(CN)c2ccccc2)c(C)c1Cl
InChIInChI=1S/C14H18ClN3O/c1-10-13(15)11(2)18(17-10)9-14(19,8-16)12-6-4-3-5-7-12/h3-7,19H,8-9,16H2,1-2H3
InChIKeyWDNJWJYOVKPCSD-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.00
Rot. Bonds4

About 1-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-phenylpropan-2-ol

1-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-phenylpropan-2-ol (PubChem CID 64820768) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 1-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-phenylpropan-2-ol
PubChem CID64820768
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name1-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-phenylpropan-2-ol
SMILESCc1nn(CC(O)(CN)c2ccccc2)c(C)c1Cl
InChIInChI=1S/C14H18ClN3O/c1-10-13(15)11(2)18(17-10)9-14(19,8-16)12-6-4-3-5-7-12/h3-7,19H,8-9,16H2,1-2H3
InChIKeyWDNJWJYOVKPCSD-UHFFFAOYSA-N
XLogP2.00
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-phenylpropan-2-ol?
The IUPAC name of 1-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-phenylpropan-2-ol (CID 64820768) is 1-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-phenylpropan-2-ol.
What is the SMILES notation for 1-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-phenylpropan-2-ol?
The canonical SMILES for 1-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-phenylpropan-2-ol is Cc1nn(CC(O)(CN)c2ccccc2)c(C)c1Cl.
What is the InChIKey of 1-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-phenylpropan-2-ol?
The InChIKey is WDNJWJYOVKPCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-10-13(15)11(2)18(17-10)9-14(19,8-16)12-6-4-3-5-7-12/h3-7,19H,8-9,16H2,1-2H3.
What are the key properties of 1-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-phenylpropan-2-ol?
1-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-phenylpropan-2-ol has a molecular weight of 279.77 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-phenylpropan-2-ol is sourced from PubChem (CID 64820768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).