(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone

C14H21N3O2 — CID 74238098

IUPAC(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOC[C@H]1CCCN1C(=O)c1c(C2CC2)n[nH]c1C
InChIInChI=1S/C14H21N3O2/c1-9-12(13(16-15-9)10-5-6-10)14(18)17-7-3-4-11(17)8-19-2/h10-11H,3-8H2,1-2H3,(H,15,16)/t11-/m1/s1
InChIKeyITCZYRWCYHUXAM-LLVKDONJSA-N
MW263.34 g/mol
LogP1.85
Rot. Bonds4

About (3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone

(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 74238098) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
PubChem CID74238098
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOC[C@H]1CCCN1C(=O)c1c(C2CC2)n[nH]c1C
InChIInChI=1S/C14H21N3O2/c1-9-12(13(16-15-9)10-5-6-10)14(18)17-7-3-4-11(17)8-19-2/h10-11H,3-8H2,1-2H3,(H,15,16)/t11-/m1/s1
InChIKeyITCZYRWCYHUXAM-LLVKDONJSA-N
XLogP1.85
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone (CID 74238098) is (3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone is COC[C@H]1CCCN1C(=O)c1c(C2CC2)n[nH]c1C.
What is the InChIKey of (3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is ITCZYRWCYHUXAM-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9-12(13(16-15-9)10-5-6-10)14(18)17-7-3-4-11(17)8-19-2/h10-11H,3-8H2,1-2H3,(H,15,16)/t11-/m1/s1.
What are the key properties of (3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone?
(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 263.34 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 74238098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).