1-(4-aminopyrazol-1-yl)-3-[methyl(oxan-4-yl)amino]propan-2-ol

C12H22N4O2 — CID 43610733

IUPAC1-(4-aminopyrazol-1-yl)-3-[methyl(oxan-4-yl)amino]propan-2-ol
SMILESCN(CC(O)Cn1cc(N)cn1)C1CCOCC1
InChIInChI=1S/C12H22N4O2/c1-15(11-2-4-18-5-3-11)8-12(17)9-16-7-10(13)6-14-16/h6-7,11-12,17H,2-5,8-9,13H2,1H3
InChIKeyQJKBPAFBLTUPOS-UHFFFAOYSA-N
MW254.33 g/mol
LogP-0.06
Rot. Bonds5

About 1-(4-aminopyrazol-1-yl)-3-[methyl(oxan-4-yl)amino]propan-2-ol

1-(4-aminopyrazol-1-yl)-3-[methyl(oxan-4-yl)amino]propan-2-ol (PubChem CID 43610733) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(4-aminopyrazol-1-yl)-3-[methyl(oxan-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-aminopyrazol-1-yl)-3-[methyl(oxan-4-yl)amino]propan-2-ol
PubChem CID43610733
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name1-(4-aminopyrazol-1-yl)-3-[methyl(oxan-4-yl)amino]propan-2-ol
SMILESCN(CC(O)Cn1cc(N)cn1)C1CCOCC1
InChIInChI=1S/C12H22N4O2/c1-15(11-2-4-18-5-3-11)8-12(17)9-16-7-10(13)6-14-16/h6-7,11-12,17H,2-5,8-9,13H2,1H3
InChIKeyQJKBPAFBLTUPOS-UHFFFAOYSA-N
XLogP-0.06
TPSA76.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(morpholin-4-yl)ethyl]-1H-pyrazol-4-amine
CID 28394826
1-methyl-N-(oxan-4-yl)-1H-pyrazol-4-amine
CID 43608643
1-(oxan-4-yl)-1H-pyrazol-4-amine hydrochloride
CID 90281334
ethyl (1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)carbamate
CID 71810209
4-(Dimethylsulfamoylamino)-1-(oxolan-3-yl)pyrazole
CID 72719662
1-(Tetrahydro-2H-pyran-4-YL)-1H-pyrazol-4-amine
CID 51063703
1-(4-Aminopyrazol-1-yl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 55006413
1-(4-Aminopyrazol-1-yl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 55006455
1-(4-Aminopyrazol-1-yl)-3-[ethyl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 55006693
1-(4-Aminopyrazol-1-yl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 55006749
1-(4-Aminopyrazol-1-yl)-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 60893084
1-(4-Aminopyrazol-1-yl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-ol
CID 62968918

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopyrazol-1-yl)-3-[methyl(oxan-4-yl)amino]propan-2-ol?
The IUPAC name of 1-(4-aminopyrazol-1-yl)-3-[methyl(oxan-4-yl)amino]propan-2-ol (CID 43610733) is 1-(4-aminopyrazol-1-yl)-3-[methyl(oxan-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(4-aminopyrazol-1-yl)-3-[methyl(oxan-4-yl)amino]propan-2-ol?
The canonical SMILES for 1-(4-aminopyrazol-1-yl)-3-[methyl(oxan-4-yl)amino]propan-2-ol is CN(CC(O)Cn1cc(N)cn1)C1CCOCC1.
What is the InChIKey of 1-(4-aminopyrazol-1-yl)-3-[methyl(oxan-4-yl)amino]propan-2-ol?
The InChIKey is QJKBPAFBLTUPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-15(11-2-4-18-5-3-11)8-12(17)9-16-7-10(13)6-14-16/h6-7,11-12,17H,2-5,8-9,13H2,1H3.
What are the key properties of 1-(4-aminopyrazol-1-yl)-3-[methyl(oxan-4-yl)amino]propan-2-ol?
1-(4-aminopyrazol-1-yl)-3-[methyl(oxan-4-yl)amino]propan-2-ol has a molecular weight of 254.33 g/mol, XLogP of -0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopyrazol-1-yl)-3-[methyl(oxan-4-yl)amino]propan-2-ol is sourced from PubChem (CID 43610733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).