(1-methylpyrrol-2-yl)-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidin-1-yl]methanone

C16H20N4O2 — CID 155881332

IUPAC(1-methylpyrrol-2-yl)-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCn1cccc1C(=O)N1CCC(c2n[nH]c3c2COCC3)C1
InChIInChI=1S/C16H20N4O2/c1-19-6-2-3-14(19)16(21)20-7-4-11(9-20)15-12-10-22-8-5-13(12)17-18-15/h2-3,6,11H,4-5,7-10H2,1H3,(H,17,18)
InChIKeyMXWGEVXAIDGJJZ-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.45
Rot. Bonds2

About (1-methylpyrrol-2-yl)-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidin-1-yl]methanone

(1-methylpyrrol-2-yl)-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 155881332) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (1-methylpyrrol-2-yl)-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrrol-2-yl)-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID155881332
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(1-methylpyrrol-2-yl)-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCn1cccc1C(=O)N1CCC(c2n[nH]c3c2COCC3)C1
InChIInChI=1S/C16H20N4O2/c1-19-6-2-3-14(19)16(21)20-7-4-11(9-20)15-12-10-22-8-5-13(12)17-18-15/h2-3,6,11H,4-5,7-10H2,1H3,(H,17,18)
InChIKeyMXWGEVXAIDGJJZ-UHFFFAOYSA-N
XLogP1.45
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

furan-2-yl-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidin-1-yl]methanone
CID 155880389
2-(4-methylphenyl)-1-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidin-1-yl]ethanone
CID 155880402
2-ethyl-1-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidin-1-yl]butan-1-one
CID 155881449
2-ethoxy-1-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidin-1-yl]ethanone
CID 155881137
2-cyclopentyl-1-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidin-1-yl]ethanone
CID 155881349
(1-methylpyrrol-2-yl)-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone
CID 110118701
3-cyclopentyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 169498873
ethyl 5-[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazole-4-carboxylate
CID 126831834
3-cyclohexyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 169498714
[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone
CID 53185513
(1-methylpyrrol-2-yl)-[(3R)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
CID 129417627
cyclohexylmethyl 3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)azetidine-1-carboxylate
CID 136573515

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrol-2-yl)-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (1-methylpyrrol-2-yl)-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidin-1-yl]methanone (CID 155881332) is (1-methylpyrrol-2-yl)-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrrol-2-yl)-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-methylpyrrol-2-yl)-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidin-1-yl]methanone is Cn1cccc1C(=O)N1CCC(c2n[nH]c3c2COCC3)C1.
What is the InChIKey of (1-methylpyrrol-2-yl)-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is MXWGEVXAIDGJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-19-6-2-3-14(19)16(21)20-7-4-11(9-20)15-12-10-22-8-5-13(12)17-18-15/h2-3,6,11H,4-5,7-10H2,1H3,(H,17,18).
What are the key properties of (1-methylpyrrol-2-yl)-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidin-1-yl]methanone?
(1-methylpyrrol-2-yl)-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 300.36 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrol-2-yl)-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 155881332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).