2-[3-[1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol

C14H19N5O — CID 110271021

IUPAC2-[3-[1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol
SMILESCc1nccc(N2CCC(c3cc(CCO)[nH]n3)C2)n1
InChIInChI=1S/C14H19N5O/c1-10-15-5-2-14(16-10)19-6-3-11(9-19)13-8-12(4-7-20)17-18-13/h2,5,8,11,20H,3-4,6-7,9H2,1H3,(H,17,18)
InChIKeyKHSKKCHISUWLAR-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.04
Rot. Bonds4

About 2-[3-[1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol

2-[3-[1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol (PubChem CID 110271021) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[3-[1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[3-[1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol
PubChem CID110271021
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-[3-[1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol
SMILESCc1nccc(N2CCC(c3cc(CCO)[nH]n3)C2)n1
InChIInChI=1S/C14H19N5O/c1-10-15-5-2-14(16-10)19-6-3-11(9-19)13-8-12(4-7-20)17-18-13/h2,5,8,11,20H,3-4,6-7,9H2,1H3,(H,17,18)
InChIKeyKHSKKCHISUWLAR-UHFFFAOYSA-N
XLogP1.04
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol?
The IUPAC name of 2-[3-[1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol (CID 110271021) is 2-[3-[1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol.
What is the SMILES notation for 2-[3-[1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol?
The canonical SMILES for 2-[3-[1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol is Cc1nccc(N2CCC(c3cc(CCO)[nH]n3)C2)n1.
What is the InChIKey of 2-[3-[1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol?
The InChIKey is KHSKKCHISUWLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10-15-5-2-14(16-10)19-6-3-11(9-19)13-8-12(4-7-20)17-18-13/h2,5,8,11,20H,3-4,6-7,9H2,1H3,(H,17,18).
What are the key properties of 2-[3-[1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol?
2-[3-[1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol has a molecular weight of 273.34 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol is sourced from PubChem (CID 110271021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).