[(2R)-2-[5-(hydroxymethyl)-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone

C13H17N5O2 — CID 95845828

IUPAC[(2R)-2-[5-(hydroxymethyl)-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCC[C@@H]2c2cc(CO)[nH]n2)cn1
InChIInChI=1S/C13H17N5O2/c1-17-7-9(6-14-17)13(20)18-4-2-3-12(18)11-5-10(8-19)15-16-11/h5-7,12,19H,2-4,8H2,1H3,(H,15,16)/t12-/m1/s1
InChIKeyJYLAEMOOKBKHDC-GFCCVEGCSA-N
MW275.31 g/mol
LogP0.61
Rot. Bonds3

About [(2R)-2-[5-(hydroxymethyl)-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone

[(2R)-2-[5-(hydroxymethyl)-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 95845828) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is [(2R)-2-[5-(hydroxymethyl)-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[5-(hydroxymethyl)-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID95845828
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name[(2R)-2-[5-(hydroxymethyl)-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCC[C@@H]2c2cc(CO)[nH]n2)cn1
InChIInChI=1S/C13H17N5O2/c1-17-7-9(6-14-17)13(20)18-4-2-3-12(18)11-5-10(8-19)15-16-11/h5-7,12,19H,2-4,8H2,1H3,(H,15,16)/t12-/m1/s1
InChIKeyJYLAEMOOKBKHDC-GFCCVEGCSA-N
XLogP0.61
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[5-(hydroxymethyl)-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [(2R)-2-[5-(hydroxymethyl)-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 95845828) is [(2R)-2-[5-(hydroxymethyl)-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [(2R)-2-[5-(hydroxymethyl)-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [(2R)-2-[5-(hydroxymethyl)-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone is Cn1cc(C(=O)N2CCC[C@@H]2c2cc(CO)[nH]n2)cn1.
What is the InChIKey of [(2R)-2-[5-(hydroxymethyl)-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is JYLAEMOOKBKHDC-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-17-7-9(6-14-17)13(20)18-4-2-3-12(18)11-5-10(8-19)15-16-11/h5-7,12,19H,2-4,8H2,1H3,(H,15,16)/t12-/m1/s1.
What are the key properties of [(2R)-2-[5-(hydroxymethyl)-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
[(2R)-2-[5-(hydroxymethyl)-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 275.31 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[5-(hydroxymethyl)-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 95845828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).