2-methyl-1-(2-methylpropylamino)-4-(1-methylpyrazol-4-yl)butan-2-ol

C13H25N3O — CID 103017836

IUPAC2-methyl-1-(2-methylpropylamino)-4-(1-methylpyrazol-4-yl)butan-2-ol
SMILESCC(C)CNCC(C)(O)CCc1cnn(C)c1
InChIInChI=1S/C13H25N3O/c1-11(2)7-14-10-13(3,17)6-5-12-8-15-16(4)9-12/h8-9,11,14,17H,5-7,10H2,1-4H3
InChIKeyRRFYROOARMHMFA-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.35
Rot. Bonds7

About 2-methyl-1-(2-methylpropylamino)-4-(1-methylpyrazol-4-yl)butan-2-ol

2-methyl-1-(2-methylpropylamino)-4-(1-methylpyrazol-4-yl)butan-2-ol (PubChem CID 103017836) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpropylamino)-4-(1-methylpyrazol-4-yl)butan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(2-methylpropylamino)-4-(1-methylpyrazol-4-yl)butan-2-ol
PubChem CID103017836
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-methyl-1-(2-methylpropylamino)-4-(1-methylpyrazol-4-yl)butan-2-ol
SMILESCC(C)CNCC(C)(O)CCc1cnn(C)c1
InChIInChI=1S/C13H25N3O/c1-11(2)7-14-10-13(3,17)6-5-12-8-15-16(4)9-12/h8-9,11,14,17H,5-7,10H2,1-4H3
InChIKeyRRFYROOARMHMFA-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-1-[(1-methylpyrazol-4-yl)methylamino]hexan-2-ol
CID 111449388
2-methyl-N-(2-methylpropyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]but-3-en-1-amine
CID 103014875
1-amino-2-methyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103006669
2-methyl-1-(2-methylpropylamino)-4-phenylbutan-2-ol
CID 62774344
4-methoxy-2-methyl-1-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol
CID 106255495
3-methyl-N-(2-methylpropyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]butan-1-amine
CID 103014335
2-cyclopropyl-2-methyl-N-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 83160355
2,3-dimethyl-1-[(1-methylpyrazol-4-yl)methylamino]butan-2-ol
CID 111118581
N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 62125869
2-methyl-5-(1-methylpyrazol-4-yl)pentan-2-ol
CID 164967779
N-tert-butyl-2,2-dimethyl-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014439
2,6-dimethyl-1-(2-methylpropylamino)heptan-2-ol
CID 83168632

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylpropylamino)-4-(1-methylpyrazol-4-yl)butan-2-ol?
The IUPAC name of 2-methyl-1-(2-methylpropylamino)-4-(1-methylpyrazol-4-yl)butan-2-ol (CID 103017836) is 2-methyl-1-(2-methylpropylamino)-4-(1-methylpyrazol-4-yl)butan-2-ol.
What is the SMILES notation for 2-methyl-1-(2-methylpropylamino)-4-(1-methylpyrazol-4-yl)butan-2-ol?
The canonical SMILES for 2-methyl-1-(2-methylpropylamino)-4-(1-methylpyrazol-4-yl)butan-2-ol is CC(C)CNCC(C)(O)CCc1cnn(C)c1.
What is the InChIKey of 2-methyl-1-(2-methylpropylamino)-4-(1-methylpyrazol-4-yl)butan-2-ol?
The InChIKey is RRFYROOARMHMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-11(2)7-14-10-13(3,17)6-5-12-8-15-16(4)9-12/h8-9,11,14,17H,5-7,10H2,1-4H3.
What are the key properties of 2-methyl-1-(2-methylpropylamino)-4-(1-methylpyrazol-4-yl)butan-2-ol?
2-methyl-1-(2-methylpropylamino)-4-(1-methylpyrazol-4-yl)butan-2-ol has a molecular weight of 239.36 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpropylamino)-4-(1-methylpyrazol-4-yl)butan-2-ol is sourced from PubChem (CID 103017836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).