(3-amino-1H-pyrazol-5-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone

C10H16N4O2 — CID 107210730

IUPAC(3-amino-1H-pyrazol-5-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
SMILESCCCC1(O)CN(C(=O)c2cc(N)n[nH]2)C1
InChIInChI=1S/C10H16N4O2/c1-2-3-10(16)5-14(6-10)9(15)7-4-8(11)13-12-7/h4,16H,2-3,5-6H2,1H3,(H3,11,12,13)
InChIKeyNRFGTPJVIJIQQF-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.02
Rot. Bonds3

About (3-amino-1H-pyrazol-5-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone

(3-amino-1H-pyrazol-5-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone (PubChem CID 107210730) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is (3-amino-1H-pyrazol-5-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-1H-pyrazol-5-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
PubChem CID107210730
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name(3-amino-1H-pyrazol-5-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
SMILESCCCC1(O)CN(C(=O)c2cc(N)n[nH]2)C1
InChIInChI=1S/C10H16N4O2/c1-2-3-10(16)5-14(6-10)9(15)7-4-8(11)13-12-7/h4,16H,2-3,5-6H2,1H3,(H3,11,12,13)
InChIKeyNRFGTPJVIJIQQF-UHFFFAOYSA-N
XLogP-0.02
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-1-methylpyrazol-5-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107210694
(3-amino-1H-pyrazol-5-yl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 64523295
(3-amino-1H-pyrazol-5-yl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 64526017
(2-aminophenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107210754
(3-amino-1H-pyrazol-5-yl)-(4,4-dimethylazepan-1-yl)methanone
CID 65283705
(3-amino-1H-pyrazol-5-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 64526002
(5-amino-2-fluorophenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107210704
(4-amino-3-bromophenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107219981
1-(3-amino-1H-pyrazol-5-yl)propan-1-one
CID 143337628
[4-(3-amino-1H-pyrazole-5-carbonyl)piperazin-1-yl]-phenylmethanone
CID 46987862
[2-(2-aminoethyl)phenyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107219935
2-[4-(3-amino-1H-pyrazole-5-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 64523296

Frequently Asked Questions

What is the IUPAC name of (3-amino-1H-pyrazol-5-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone?
The IUPAC name of (3-amino-1H-pyrazol-5-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone (CID 107210730) is (3-amino-1H-pyrazol-5-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone.
What is the SMILES notation for (3-amino-1H-pyrazol-5-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone?
The canonical SMILES for (3-amino-1H-pyrazol-5-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone is CCCC1(O)CN(C(=O)c2cc(N)n[nH]2)C1.
What is the InChIKey of (3-amino-1H-pyrazol-5-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone?
The InChIKey is NRFGTPJVIJIQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-2-3-10(16)5-14(6-10)9(15)7-4-8(11)13-12-7/h4,16H,2-3,5-6H2,1H3,(H3,11,12,13).
What are the key properties of (3-amino-1H-pyrazol-5-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone?
(3-amino-1H-pyrazol-5-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone has a molecular weight of 224.26 g/mol, XLogP of -0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1H-pyrazol-5-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone is sourced from PubChem (CID 107210730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).