1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol

C19H23N3OS — CID 111449506

IUPAC1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol
SMILESCc1nn(-c2ccccc2)c(C)c1CNCC(C)(O)c1ccsc1
InChIInChI=1S/C19H23N3OS/c1-14-18(11-20-13-19(3,23)16-9-10-24-12-16)15(2)22(21-14)17-7-5-4-6-8-17/h4-10,12,20,23H,11,13H2,1-3H3
InChIKeyQJAOSAAISKYTTM-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.55
Rot. Bonds6

About 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol

1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol (PubChem CID 111449506) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol
PubChem CID111449506
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol
SMILESCc1nn(-c2ccccc2)c(C)c1CNCC(C)(O)c1ccsc1
InChIInChI=1S/C19H23N3OS/c1-14-18(11-20-13-19(3,23)16-9-10-24-12-16)15(2)22(21-14)17-7-5-4-6-8-17/h4-10,12,20,23H,11,13H2,1-3H3
InChIKeyQJAOSAAISKYTTM-UHFFFAOYSA-N
XLogP3.55
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethanol
CID 43406566
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
CID 103605624
1-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol
CID 111449453
5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]pentan-1-ol
CID 107303026
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,3-dimethylbutan-1-amine
CID 64571084
1-(1-benzothiophen-3-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]methanamine
CID 112806117
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]hexan-1-amine
CID 43406597
(3,5-dimethyl-1-phenylpyrazol-4-yl)methanol
CID 2526674
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-phenyl-1,3,4-thiadiazol-2-amine
CID 112840242
1-cyclopropyl-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethanol
CID 63294865
(1S)-N'-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 9453083
4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]phenol
CID 1478286

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol?
The IUPAC name of 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol (CID 111449506) is 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol.
What is the SMILES notation for 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol?
The canonical SMILES for 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol is Cc1nn(-c2ccccc2)c(C)c1CNCC(C)(O)c1ccsc1.
What is the InChIKey of 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol?
The InChIKey is QJAOSAAISKYTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-14-18(11-20-13-19(3,23)16-9-10-24-12-16)15(2)22(21-14)17-7-5-4-6-8-17/h4-10,12,20,23H,11,13H2,1-3H3.
What are the key properties of 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol?
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol has a molecular weight of 341.48 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol is sourced from PubChem (CID 111449506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).