(4-amino-1H-pyrazol-5-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone

C10H16N4O2 — CID 114796663

IUPAC(4-amino-1H-pyrazol-5-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESNc1cn[nH]c1C(=O)N1CCC(CCO)C1
InChIInChI=1S/C10H16N4O2/c11-8-5-12-13-9(8)10(16)14-3-1-7(6-14)2-4-15/h5,7,15H,1-4,6,11H2,(H,12,13)
InChIKeyPTZDZUBDKARWSJ-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.16
Rot. Bonds3

About (4-amino-1H-pyrazol-5-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone

(4-amino-1H-pyrazol-5-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone (PubChem CID 114796663) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is (4-amino-1H-pyrazol-5-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-1H-pyrazol-5-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
PubChem CID114796663
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name(4-amino-1H-pyrazol-5-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESNc1cn[nH]c1C(=O)N1CCC(CCO)C1
InChIInChI=1S/C10H16N4O2/c11-8-5-12-13-9(8)10(16)14-3-1-7(6-14)2-4-15/h5,7,15H,1-4,6,11H2,(H,12,13)
InChIKeyPTZDZUBDKARWSJ-UHFFFAOYSA-N
XLogP-0.16
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 ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-1H-pyrazol-5-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102954850
(4-amino-1H-pyrazol-5-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112623776
(4-amino-3,5-dichlorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115869589
(4-amino-1H-pyrazol-5-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 63168261
(4-amino-1H-pyrazol-5-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 63102325
(4-amino-1H-pyrazol-5-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 63103971
(4-amino-1H-pyrazol-5-yl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 63605171
(3-amino-2,5-difluorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 107121517
(4-amino-5-ethyl-1H-pyrazol-3-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114796732
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 115746589
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 113268934
(4-amino-3-chlorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114796674

Frequently Asked Questions

What is the IUPAC name of (4-amino-1H-pyrazol-5-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-amino-1H-pyrazol-5-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone (CID 114796663) is (4-amino-1H-pyrazol-5-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-amino-1H-pyrazol-5-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-amino-1H-pyrazol-5-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone is Nc1cn[nH]c1C(=O)N1CCC(CCO)C1.
What is the InChIKey of (4-amino-1H-pyrazol-5-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone?
The InChIKey is PTZDZUBDKARWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c11-8-5-12-13-9(8)10(16)14-3-1-7(6-14)2-4-15/h5,7,15H,1-4,6,11H2,(H,12,13).
What are the key properties of (4-amino-1H-pyrazol-5-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone?
(4-amino-1H-pyrazol-5-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone has a molecular weight of 224.26 g/mol, XLogP of -0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1H-pyrazol-5-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 114796663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).