4-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pentan-1-ol

C13H25N3O — CID 103700974

IUPAC4-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pentan-1-ol
SMILESCC(C)C(CCO)NCc1cnn(C(C)C)c1
InChIInChI=1S/C13H25N3O/c1-10(2)13(5-6-17)14-7-12-8-15-16(9-12)11(3)4/h8-11,13-14,17H,5-7H2,1-4H3
InChIKeyPQOXFOMOJCNCNQ-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.96
Rot. Bonds7

About 4-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pentan-1-ol

4-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pentan-1-ol (PubChem CID 103700974) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name4-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pentan-1-ol
PubChem CID103700974
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name4-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pentan-1-ol
SMILESCC(C)C(CCO)NCc1cnn(C(C)C)c1
InChIInChI=1S/C13H25N3O/c1-10(2)13(5-6-17)14-7-12-8-15-16(9-12)11(3)4/h8-11,13-14,17H,5-7H2,1-4H3
InChIKeyPQOXFOMOJCNCNQ-UHFFFAOYSA-N
XLogP1.96
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Amino-2-[(1-methyl-1H-pyrazol-4-yl)methyl]propan-1-ol
CID 43199852
[1-[(1S)-2-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]propyl]cyclopentyl]methanol
CID 164636642
2-Methyl-2-(methylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol
CID 64808780
2-Methyl-2-(propylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol
CID 64808781
2-Methyl-2-(propan-2-ylamino)-4-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol
CID 64808782
2-Cyclopropyl-2-(propylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
CID 64808993
2-Cyclopropyl-2-(propan-2-ylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
CID 64808994
2-Methyl-2-(propan-2-ylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
CID 64809203
2-(Propylamino)-4-[4-(trifluoromethyl)pyrazol-1-yl]butan-1-ol
CID 64809204
2-Amino-2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol
CID 64809412
2-Methyl-2-(methylamino)-4-[4-(trifluoromethyl)pyrazol-1-yl]butan-1-ol
CID 64809414
2-Methyl-2-(propylamino)-6-[4-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol
CID 64809621

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pentan-1-ol?
The IUPAC name of 4-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pentan-1-ol (CID 103700974) is 4-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pentan-1-ol.
What is the SMILES notation for 4-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pentan-1-ol?
The canonical SMILES for 4-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pentan-1-ol is CC(C)C(CCO)NCc1cnn(C(C)C)c1.
What is the InChIKey of 4-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pentan-1-ol?
The InChIKey is PQOXFOMOJCNCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-10(2)13(5-6-17)14-7-12-8-15-16(9-12)11(3)4/h8-11,13-14,17H,5-7H2,1-4H3.
What are the key properties of 4-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pentan-1-ol?
4-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pentan-1-ol has a molecular weight of 239.36 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pentan-1-ol is sourced from PubChem (CID 103700974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).