(4-cyclopropylpiperidin-1-yl)-[(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone

C19H29N3O2 — CID 146100159

IUPAC(4-cyclopropylpiperidin-1-yl)-[(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
SMILESCCn1nc2c(c1C(=O)N1CCC(C3CC3)CC1)C[C@H](C)O[C@@H]2C
InChIInChI=1S/C19H29N3O2/c1-4-22-18(16-11-12(2)24-13(3)17(16)20-22)19(23)21-9-7-15(8-10-21)14-5-6-14/h12-15H,4-11H2,1-3H3/t12-,13+/m0/s1
InChIKeyIJFIGTZTYFJLBV-QWHCGFSZSA-N
MW331.46 g/mol
LogP3.19
Rot. Bonds3

About (4-cyclopropylpiperidin-1-yl)-[(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone

(4-cyclopropylpiperidin-1-yl)-[(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone (PubChem CID 146100159) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is (4-cyclopropylpiperidin-1-yl)-[(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone.

Molecular Properties

Compound Name(4-cyclopropylpiperidin-1-yl)-[(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
PubChem CID146100159
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name(4-cyclopropylpiperidin-1-yl)-[(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
SMILESCCn1nc2c(c1C(=O)N1CCC(C3CC3)CC1)C[C@H](C)O[C@@H]2C
InChIInChI=1S/C19H29N3O2/c1-4-22-18(16-11-12(2)24-13(3)17(16)20-22)19(23)21-9-7-15(8-10-21)14-5-6-14/h12-15H,4-11H2,1-3H3/t12-,13+/m0/s1
InChIKeyIJFIGTZTYFJLBV-QWHCGFSZSA-N
XLogP3.19
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-cyclopropylpiperidin-1-yl)-[(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[4-(dimethylamino)piperidin-1-yl]-[(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
CID 146100155
[(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone
CID 146100266
[(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 146100332
[(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone
CID 146100288
(5S,7R)-N-[2-(dimethylamino)ethyl]-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146100115
[(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 146076941
[4-(1-hydroxycyclopropyl)piperidin-1-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
CID 146100536
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
CID 146093779
(5S,7R)-2-ethyl-N,5,7-trimethyl-N-[(3-methyloxetan-3-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146100140
3-[1-[(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbonyl]azetidin-3-yl]oxybenzonitrile
CID 146100323
(3-ethyl-3-hydroxyazetidin-1-yl)-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
CID 146100395
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
CID 146076388

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropylpiperidin-1-yl)-[(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone?
The IUPAC name of (4-cyclopropylpiperidin-1-yl)-[(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone (CID 146100159) is (4-cyclopropylpiperidin-1-yl)-[(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone.
What is the SMILES notation for (4-cyclopropylpiperidin-1-yl)-[(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone?
The canonical SMILES for (4-cyclopropylpiperidin-1-yl)-[(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone is CCn1nc2c(c1C(=O)N1CCC(C3CC3)CC1)C[C@H](C)O[C@@H]2C.
What is the InChIKey of (4-cyclopropylpiperidin-1-yl)-[(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone?
The InChIKey is IJFIGTZTYFJLBV-QWHCGFSZSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-4-22-18(16-11-12(2)24-13(3)17(16)20-22)19(23)21-9-7-15(8-10-21)14-5-6-14/h12-15H,4-11H2,1-3H3/t12-,13+/m0/s1.
What are the key properties of (4-cyclopropylpiperidin-1-yl)-[(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone?
(4-cyclopropylpiperidin-1-yl)-[(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone has a molecular weight of 331.46 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropylpiperidin-1-yl)-[(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone is sourced from PubChem (CID 146100159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).