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

C11H18N4O2 — CID 63103971

IUPAC(4-amino-1H-pyrazol-5-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
SMILESNc1cn[nH]c1C(=O)N1CCCC1CCCO
InChIInChI=1S/C11H18N4O2/c12-9-7-13-14-10(9)11(17)15-5-1-3-8(15)4-2-6-16/h7-8,16H,1-6,12H2,(H,13,14)
InChIKeyKBUOBGMZPIITIK-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.37
Rot. Bonds4

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

(4-amino-1H-pyrazol-5-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone (PubChem CID 63103971) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is (4-amino-1H-pyrazol-5-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-1H-pyrazol-5-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
PubChem CID63103971
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name(4-amino-1H-pyrazol-5-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
SMILESNc1cn[nH]c1C(=O)N1CCCC1CCCO
InChIInChI=1S/C11H18N4O2/c12-9-7-13-14-10(9)11(17)15-5-1-3-8(15)4-2-6-16/h7-8,16H,1-6,12H2,(H,13,14)
InChIKeyKBUOBGMZPIITIK-UHFFFAOYSA-N
XLogP0.37
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-1H-pyrazol-5-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114796663
(4-amino-3-hydroxyphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 107075139
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 62466811
(3-amino-2-methylphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 55076498
(4,5-dichloro-1H-pyrrol-2-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 62468946
(1,5-dimethylpyrazol-4-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 55076306
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
CID 66335558
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 62468426
(2-amino-3-fluoro-4-pyridinyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 105386020
(2-amino-6-methoxyphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 81420870
furan-3-yl-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 62468240
(3,5-dibromophenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 103932935

Frequently Asked Questions

What is the IUPAC name of (4-amino-1H-pyrazol-5-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-amino-1H-pyrazol-5-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone (CID 63103971) is (4-amino-1H-pyrazol-5-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-amino-1H-pyrazol-5-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-amino-1H-pyrazol-5-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone is Nc1cn[nH]c1C(=O)N1CCCC1CCCO.
What is the InChIKey of (4-amino-1H-pyrazol-5-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone?
The InChIKey is KBUOBGMZPIITIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c12-9-7-13-14-10(9)11(17)15-5-1-3-8(15)4-2-6-16/h7-8,16H,1-6,12H2,(H,13,14).
What are the key properties of (4-amino-1H-pyrazol-5-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone?
(4-amino-1H-pyrazol-5-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone has a molecular weight of 238.29 g/mol, XLogP of 0.37, 4 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)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 63103971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).