(3-methoxy-1-methylpyrazol-4-yl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone

C14H17N5O3 — CID 91626657

IUPAC(3-methoxy-1-methylpyrazol-4-yl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
SMILESCOc1nn(C)cc1C(=O)N1CCC(Oc2cnccn2)C1
InChIInChI=1S/C14H17N5O3/c1-18-9-11(13(17-18)21-2)14(20)19-6-3-10(8-19)22-12-7-15-4-5-16-12/h4-5,7,9-10H,3,6,8H2,1-2H3
InChIKeyVLPLSRDMANFAAJ-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.51
Rot. Bonds4

About (3-methoxy-1-methylpyrazol-4-yl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone

(3-methoxy-1-methylpyrazol-4-yl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone (PubChem CID 91626657) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is (3-methoxy-1-methylpyrazol-4-yl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-methoxy-1-methylpyrazol-4-yl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
PubChem CID91626657
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name(3-methoxy-1-methylpyrazol-4-yl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
SMILESCOc1nn(C)cc1C(=O)N1CCC(Oc2cnccn2)C1
InChIInChI=1S/C14H17N5O3/c1-18-9-11(13(17-18)21-2)14(20)19-6-3-10(8-19)22-12-7-15-4-5-16-12/h4-5,7,9-10H,3,6,8H2,1-2H3
InChIKeyVLPLSRDMANFAAJ-UHFFFAOYSA-N
XLogP0.51
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[1-(3-methoxy-1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 91626783
(2,4-dimethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636093
(3-methoxy-1-methylpyrazol-4-yl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone
CID 91815847
(3-methoxy-1-methylpyrazol-4-yl)-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
CID 100639162
naphthalen-1-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636125
(4-ethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636090
3-pyrazin-2-yloxypyrrolidine-1-carboxylic acid
CID 134496966
(4-chlorophenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636104
[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 122248430
[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 91626934
3-methyl-1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]but-2-en-1-one
CID 100753672
(4-methoxyphenyl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone
CID 90558989

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-1-methylpyrazol-4-yl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone?
The IUPAC name of (3-methoxy-1-methylpyrazol-4-yl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone (CID 91626657) is (3-methoxy-1-methylpyrazol-4-yl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-methoxy-1-methylpyrazol-4-yl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone?
The canonical SMILES for (3-methoxy-1-methylpyrazol-4-yl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone is COc1nn(C)cc1C(=O)N1CCC(Oc2cnccn2)C1.
What is the InChIKey of (3-methoxy-1-methylpyrazol-4-yl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone?
The InChIKey is VLPLSRDMANFAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-18-9-11(13(17-18)21-2)14(20)19-6-3-10(8-19)22-12-7-15-4-5-16-12/h4-5,7,9-10H,3,6,8H2,1-2H3.
What are the key properties of (3-methoxy-1-methylpyrazol-4-yl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone?
(3-methoxy-1-methylpyrazol-4-yl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone has a molecular weight of 303.32 g/mol, XLogP of 0.51, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-1-methylpyrazol-4-yl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 91626657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).