(3S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol

C16H25ClN6O — CID 129484561

IUPAC(3S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
SMILESCc1nn(C)c(Cl)c1CN1CCC[C@@](O)(c2cn(C(C)C)nn2)C1
InChIInChI=1S/C16H25ClN6O/c1-11(2)23-9-14(18-20-23)16(24)6-5-7-22(10-16)8-13-12(3)19-21(4)15(13)17/h9,11,24H,5-8,10H2,1-4H3/t16-/m0/s1
InChIKeyBAFRYIGSBHAQIB-INIZCTEOSA-N
MW352.87 g/mol
LogP2.04
Rot. Bonds4

About (3S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol

(3S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol (PubChem CID 129484561) has the molecular formula C16H25ClN6O and a molecular weight of 352.87 g/mol. Its IUPAC name is (3S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
PubChem CID129484561
Molecular FormulaC16H25ClN6O
Molecular Weight352.87 g/mol
Exact Mass352.18
IUPAC Name(3S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
SMILESCc1nn(C)c(Cl)c1CN1CCC[C@@](O)(c2cn(C(C)C)nn2)C1
InChIInChI=1S/C16H25ClN6O/c1-11(2)23-9-14(18-20-23)16(24)6-5-7-22(10-16)8-13-12(3)19-21(4)15(13)17/h9,11,24H,5-8,10H2,1-4H3/t16-/m0/s1
InChIKeyBAFRYIGSBHAQIB-INIZCTEOSA-N
XLogP2.04
TPSA72.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?
The IUPAC name of (3S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol (CID 129484561) is (3S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol.
What is the SMILES notation for (3S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?
The canonical SMILES for (3S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol is Cc1nn(C)c(Cl)c1CN1CCC[C@@](O)(c2cn(C(C)C)nn2)C1.
What is the InChIKey of (3S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?
The InChIKey is BAFRYIGSBHAQIB-INIZCTEOSA-N. The full InChI is InChI=1S/C16H25ClN6O/c1-11(2)23-9-14(18-20-23)16(24)6-5-7-22(10-16)8-13-12(3)19-21(4)15(13)17/h9,11,24H,5-8,10H2,1-4H3/t16-/m0/s1.
What are the key properties of (3S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?
(3S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol has a molecular weight of 352.87 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol is sourced from PubChem (CID 129484561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).