1-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol

C15H22ClN3OS — CID 111449453

IUPAC1-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol
SMILESCC(C)c1nn(C)c(Cl)c1CNCC(C)(O)c1ccsc1
InChIInChI=1S/C15H22ClN3OS/c1-10(2)13-12(14(16)19(4)18-13)7-17-9-15(3,20)11-5-6-21-8-11/h5-6,8,10,17,20H,7,9H2,1-4H3
InChIKeyVLMYEOQJTXDMIH-UHFFFAOYSA-N
MW327.88 g/mol
LogP3.26
Rot. Bonds6

About 1-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol

1-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol (PubChem CID 111449453) has the molecular formula C15H22ClN3OS and a molecular weight of 327.88 g/mol. Its IUPAC name is 1-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol
PubChem CID111449453
Molecular FormulaC15H22ClN3OS
Molecular Weight327.88 g/mol
Exact Mass327.12
IUPAC Name1-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol
SMILESCC(C)c1nn(C)c(Cl)c1CNCC(C)(O)c1ccsc1
InChIInChI=1S/C15H22ClN3OS/c1-10(2)13-12(14(16)19(4)18-13)7-17-9-15(3,20)11-5-6-21-8-11/h5-6,8,10,17,20H,7,9H2,1-4H3
InChIKeyVLMYEOQJTXDMIH-UHFFFAOYSA-N
XLogP3.26
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.88
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol with MolForge

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Related Compounds

5-chloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)-1-methyl-3-propan-2-ylpyrazole-4-carboxamide
CID 111478348
5-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol
CID 111467957
1-[(3-methyltriazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol
CID 111862118
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol
CID 111449506
1-[(1-methylpyrrol-2-yl)methylamino]-2-thiophen-3-ylpropan-2-ol
CID 111449467
3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)prop-2-enamide
CID 71985054
1-(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-N-methylmethanamine
CID 83881094
1-(cyclopentylmethylamino)-2-thiophen-3-ylpropan-2-ol
CID 115907531
1-[(5-bromothiophen-3-yl)methylamino]-2-thiophen-3-ylpropan-2-ol
CID 111449551
N-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
CID 78895110
1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-2-thiophen-3-ylpropan-2-ol
CID 111449502
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol
CID 115621471

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol?
The IUPAC name of 1-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol (CID 111449453) is 1-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol.
What is the SMILES notation for 1-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol?
The canonical SMILES for 1-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol is CC(C)c1nn(C)c(Cl)c1CNCC(C)(O)c1ccsc1.
What is the InChIKey of 1-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol?
The InChIKey is VLMYEOQJTXDMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3OS/c1-10(2)13-12(14(16)19(4)18-13)7-17-9-15(3,20)11-5-6-21-8-11/h5-6,8,10,17,20H,7,9H2,1-4H3.
What are the key properties of 1-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol?
1-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol has a molecular weight of 327.88 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol is sourced from PubChem (CID 111449453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).