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

C14H19N5O2 — CID 110270992

IUPAC[3-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCn1ccc(C(=O)N2CCC(c3cc(CCO)[nH]n3)C2)n1
InChIInChI=1S/C14H19N5O2/c1-18-5-3-12(17-18)14(21)19-6-2-10(9-19)13-8-11(4-7-20)15-16-13/h3,5,8,10,20H,2,4,6-7,9H2,1H3,(H,15,16)
InChIKeyHVSPSCAHCIVUNO-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.31
Rot. Bonds4

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

[3-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone (PubChem CID 110270992) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is [3-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
PubChem CID110270992
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name[3-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCn1ccc(C(=O)N2CCC(c3cc(CCO)[nH]n3)C2)n1
InChIInChI=1S/C14H19N5O2/c1-18-5-3-12(17-18)14(21)19-6-2-10(9-19)13-8-11(4-7-20)15-16-13/h3,5,8,10,20H,2,4,6-7,9H2,1H3,(H,15,16)
InChIKeyHVSPSCAHCIVUNO-UHFFFAOYSA-N
XLogP0.31
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-[5-(hydroxymethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 95824421
(1-methylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 95841745
[3-(chloromethyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103122422
[3-(bromomethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103122473
2-[3-(1-cyclopentylpyrrolidin-3-yl)-1H-pyrazol-5-yl]ethanol
CID 127252335
2-[3-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-5-yl]ethanol
CID 95824466
[3-(chloromethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103122381
[(3R)-3-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95831744
[(3R)-3-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95831746
(1-methylpyrazol-3-yl)-[(3S)-3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 135963333
(3-methylazetidin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 123809651
[4-(2-hydroxyethoxy)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103899127

Frequently Asked Questions

What is the IUPAC name of [3-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of [3-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone (CID 110270992) is [3-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [3-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for [3-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone is Cn1ccc(C(=O)N2CCC(c3cc(CCO)[nH]n3)C2)n1.
What is the InChIKey of [3-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The InChIKey is HVSPSCAHCIVUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-18-5-3-12(17-18)14(21)19-6-2-10(9-19)13-8-11(4-7-20)15-16-13/h3,5,8,10,20H,2,4,6-7,9H2,1H3,(H,15,16).
What are the key properties of [3-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
[3-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone has a molecular weight of 289.34 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 110270992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).