(1-propylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol

C16H21N3O — CID 103572684

IUPAC(1-propylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol
SMILESCCCn1cc(C(O)C2NCCc3ccccc32)cn1
InChIInChI=1S/C16H21N3O/c1-2-9-19-11-13(10-18-19)16(20)15-14-6-4-3-5-12(14)7-8-17-15/h3-6,10-11,15-17,20H,2,7-9H2,1H3
InChIKeyPSMLIAWMSCLPRL-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.21
Rot. Bonds4

About (1-propylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol

(1-propylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol (PubChem CID 103572684) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is (1-propylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol.

Molecular Properties

Compound Name(1-propylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol
PubChem CID103572684
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name(1-propylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol
SMILESCCCn1cc(C(O)C2NCCc3ccccc32)cn1
InChIInChI=1S/C16H21N3O/c1-2-9-19-11-13(10-18-19)16(20)15-14-6-4-3-5-12(14)7-8-17-15/h3-6,10-11,15-17,20H,2,7-9H2,1H3
InChIKeyPSMLIAWMSCLPRL-UHFFFAOYSA-N
XLogP2.21
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1-propylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol with MolForge

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

Launch Full Analysis

Related Compounds

7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-propylpyrazol-4-yl)methanol
CID 64986776
(1,5-dimethylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol
CID 79584475
1-(1,2,3,4-tetrahydroisoquinolin-1-yl)propan-1-ol
CID 583448
(3-ethylimidazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol
CID 66134741
[4-(difluoromethyl)phenyl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol
CID 115524947
1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 105103456
3-[hydroxy(1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]benzonitrile
CID 115481178
cycloheptyl-(1-propylpyrazol-4-yl)methanol
CID 65398920
(3,5-dimethylcyclohexyl)-(1-propylpyrazol-4-yl)methanol
CID 103572566
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 64984224
3,4-dihydro-1H-isochromen-1-yl-(1-propylpyrazol-4-yl)methanone
CID 105082158
8-(1-propylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline
CID 103144129

Frequently Asked Questions

What is the IUPAC name of (1-propylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol?
The IUPAC name of (1-propylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol (CID 103572684) is (1-propylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol.
What is the SMILES notation for (1-propylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol?
The canonical SMILES for (1-propylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol is CCCn1cc(C(O)C2NCCc3ccccc32)cn1.
What is the InChIKey of (1-propylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol?
The InChIKey is PSMLIAWMSCLPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-9-19-11-13(10-18-19)16(20)15-14-6-4-3-5-12(14)7-8-17-15/h3-6,10-11,15-17,20H,2,7-9H2,1H3.
What are the key properties of (1-propylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol?
(1-propylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol has a molecular weight of 271.36 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol is sourced from PubChem (CID 103572684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).