[1-[(1S)-2-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]propyl]cyclopentyl]methanol

C17H31N3O — CID 164636642

IUPAC[1-[(1S)-2-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]propyl]cyclopentyl]methanol
SMILESCC(C)[C@H](NCc1cnn(C(C)C)c1)C1(CO)CCCC1
InChIInChI=1S/C17H31N3O/c1-13(2)16(17(12-21)7-5-6-8-17)18-9-15-10-19-20(11-15)14(3)4/h10-11,13-14,16,18,21H,5-9,12H2,1-4H3/t16-/m0/s1
InChIKeyWGKBHGICCBXZRY-INIZCTEOSA-N
MW293.45 g/mol
LogP3.13
Rot. Bonds7

About [1-[(1S)-2-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]propyl]cyclopentyl]methanol

[1-[(1S)-2-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]propyl]cyclopentyl]methanol (PubChem CID 164636642) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is [1-[(1S)-2-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]propyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[(1S)-2-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]propyl]cyclopentyl]methanol
PubChem CID164636642
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name[1-[(1S)-2-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]propyl]cyclopentyl]methanol
SMILESCC(C)[C@H](NCc1cnn(C(C)C)c1)C1(CO)CCCC1
InChIInChI=1S/C17H31N3O/c1-13(2)16(17(12-21)7-5-6-8-17)18-9-15-10-19-20(11-15)14(3)4/h10-11,13-14,16,18,21H,5-9,12H2,1-4H3/t16-/m0/s1
InChIKeyWGKBHGICCBXZRY-INIZCTEOSA-N
XLogP3.13
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(1S)-2-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]propyl]cyclopentyl]methanol?
The IUPAC name of [1-[(1S)-2-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]propyl]cyclopentyl]methanol (CID 164636642) is [1-[(1S)-2-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]propyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[(1S)-2-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]propyl]cyclopentyl]methanol?
The canonical SMILES for [1-[(1S)-2-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]propyl]cyclopentyl]methanol is CC(C)[C@H](NCc1cnn(C(C)C)c1)C1(CO)CCCC1.
What is the InChIKey of [1-[(1S)-2-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]propyl]cyclopentyl]methanol?
The InChIKey is WGKBHGICCBXZRY-INIZCTEOSA-N. The full InChI is InChI=1S/C17H31N3O/c1-13(2)16(17(12-21)7-5-6-8-17)18-9-15-10-19-20(11-15)14(3)4/h10-11,13-14,16,18,21H,5-9,12H2,1-4H3/t16-/m0/s1.
What are the key properties of [1-[(1S)-2-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]propyl]cyclopentyl]methanol?
[1-[(1S)-2-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]propyl]cyclopentyl]methanol has a molecular weight of 293.45 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1S)-2-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]propyl]cyclopentyl]methanol is sourced from PubChem (CID 164636642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).