2-[(5-methyl-1H-pyrazol-3-yl)methylamino]-3-thiophen-2-ylpropan-1-ol

C12H17N3OS — CID 146104711

IUPAC2-[(5-methyl-1H-pyrazol-3-yl)methylamino]-3-thiophen-2-ylpropan-1-ol
SMILESCc1cc(CNC(CO)Cc2cccs2)n[nH]1
InChIInChI=1S/C12H17N3OS/c1-9-5-10(15-14-9)7-13-11(8-16)6-12-3-2-4-17-12/h2-5,11,13,16H,6-8H2,1H3,(H,14,15)
InChIKeyLAECNEONPXAOGF-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.47
Rot. Bonds6

About 2-[(5-methyl-1H-pyrazol-3-yl)methylamino]-3-thiophen-2-ylpropan-1-ol

2-[(5-methyl-1H-pyrazol-3-yl)methylamino]-3-thiophen-2-ylpropan-1-ol (PubChem CID 146104711) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-[(5-methyl-1H-pyrazol-3-yl)methylamino]-3-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name2-[(5-methyl-1H-pyrazol-3-yl)methylamino]-3-thiophen-2-ylpropan-1-ol
PubChem CID146104711
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name2-[(5-methyl-1H-pyrazol-3-yl)methylamino]-3-thiophen-2-ylpropan-1-ol
SMILESCc1cc(CNC(CO)Cc2cccs2)n[nH]1
InChIInChI=1S/C12H17N3OS/c1-9-5-10(15-14-9)7-13-11(8-16)6-12-3-2-4-17-12/h2-5,11,13,16H,6-8H2,1H3,(H,14,15)
InChIKeyLAECNEONPXAOGF-UHFFFAOYSA-N
XLogP1.47
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1H-pyrazol-3-yl)methylamino]-3-thiophen-2-ylpropan-1-ol?
The IUPAC name of 2-[(5-methyl-1H-pyrazol-3-yl)methylamino]-3-thiophen-2-ylpropan-1-ol (CID 146104711) is 2-[(5-methyl-1H-pyrazol-3-yl)methylamino]-3-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 2-[(5-methyl-1H-pyrazol-3-yl)methylamino]-3-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 2-[(5-methyl-1H-pyrazol-3-yl)methylamino]-3-thiophen-2-ylpropan-1-ol is Cc1cc(CNC(CO)Cc2cccs2)n[nH]1.
What is the InChIKey of 2-[(5-methyl-1H-pyrazol-3-yl)methylamino]-3-thiophen-2-ylpropan-1-ol?
The InChIKey is LAECNEONPXAOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-9-5-10(15-14-9)7-13-11(8-16)6-12-3-2-4-17-12/h2-5,11,13,16H,6-8H2,1H3,(H,14,15).
What are the key properties of 2-[(5-methyl-1H-pyrazol-3-yl)methylamino]-3-thiophen-2-ylpropan-1-ol?
2-[(5-methyl-1H-pyrazol-3-yl)methylamino]-3-thiophen-2-ylpropan-1-ol has a molecular weight of 251.35 g/mol, XLogP of 1.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1H-pyrazol-3-yl)methylamino]-3-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 146104711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).