(4-amino-1-methylpyrazol-5-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone

C11H18N4O2 — CID 107210694

IUPAC(4-amino-1-methylpyrazol-5-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
SMILESCCCC1(O)CN(C(=O)c2c(N)cnn2C)C1
InChIInChI=1S/C11H18N4O2/c1-3-4-11(17)6-15(7-11)10(16)9-8(12)5-13-14(9)2/h5,17H,3-4,6-7,12H2,1-2H3
InChIKeyPBAXJOLAVDJIRS-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.01
Rot. Bonds3

About (4-amino-1-methylpyrazol-5-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone

(4-amino-1-methylpyrazol-5-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone (PubChem CID 107210694) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is (4-amino-1-methylpyrazol-5-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-methylpyrazol-5-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
PubChem CID107210694
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name(4-amino-1-methylpyrazol-5-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
SMILESCCCC1(O)CN(C(=O)c2c(N)cnn2C)C1
InChIInChI=1S/C11H18N4O2/c1-3-4-11(17)6-15(7-11)10(16)9-8(12)5-13-14(9)2/h5,17H,3-4,6-7,12H2,1-2H3
InChIKeyPBAXJOLAVDJIRS-UHFFFAOYSA-N
XLogP-0.01
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-amino-1-methylpyrazol-5-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
CID 107210607
(4-amino-1-methylpyrazol-5-yl)-(4-propylpiperazin-1-yl)methanone
CID 65355801
(4-amino-1-methylpyrazol-5-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103355021
(3-amino-1H-pyrazol-5-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107210730
(4-amino-1-methylpyrazol-5-yl)-(4-ethylpiperidin-1-yl)methanone
CID 65359976
(2-aminophenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107210754
(4-amino-1-methylpyrazol-5-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776070
[1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107211825
(4-amino-1-methylpyrazol-5-yl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 65359569
(4-amino-1-methylpyrazol-5-yl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 65359274
(4-amino-3-bromophenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107219981
(4-amino-1-methylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 65359335

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-methylpyrazol-5-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone?
The IUPAC name of (4-amino-1-methylpyrazol-5-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone (CID 107210694) is (4-amino-1-methylpyrazol-5-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone.
What is the SMILES notation for (4-amino-1-methylpyrazol-5-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone?
The canonical SMILES for (4-amino-1-methylpyrazol-5-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone is CCCC1(O)CN(C(=O)c2c(N)cnn2C)C1.
What is the InChIKey of (4-amino-1-methylpyrazol-5-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone?
The InChIKey is PBAXJOLAVDJIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-3-4-11(17)6-15(7-11)10(16)9-8(12)5-13-14(9)2/h5,17H,3-4,6-7,12H2,1-2H3.
What are the key properties of (4-amino-1-methylpyrazol-5-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone?
(4-amino-1-methylpyrazol-5-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone has a molecular weight of 238.29 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-methylpyrazol-5-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone is sourced from PubChem (CID 107210694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).