[3-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(9-methylcarbazol-3-yl)methanone

C29H28N4O2 — CID 45179608

IUPAC[3-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(9-methylcarbazol-3-yl)methanone
SMILESCOc1cccc(-c2cn[nH]c2C2CCCN(C(=O)c3ccc4c(c3)c3ccccc3n4C)C2)c1
InChIInChI=1S/C29H28N4O2/c1-32-26-11-4-3-10-23(26)24-16-20(12-13-27(24)32)29(34)33-14-6-8-21(18-33)28-25(17-30-31-28)19-7-5-9-22(15-19)35-2/h3-5,7,9-13,15-17,21H,6,8,14,18H2,1-2H3,(H,30,31)
InChIKeyXUBLPSFBMROICB-UHFFFAOYSA-N
MW464.57 g/mol
LogP5.75
Rot. Bonds4

About [3-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(9-methylcarbazol-3-yl)methanone

[3-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(9-methylcarbazol-3-yl)methanone (PubChem CID 45179608) has the molecular formula C29H28N4O2 and a molecular weight of 464.57 g/mol. Its IUPAC name is [3-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(9-methylcarbazol-3-yl)methanone.

Molecular Properties

Compound Name[3-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(9-methylcarbazol-3-yl)methanone
PubChem CID45179608
Molecular FormulaC29H28N4O2
Molecular Weight464.57 g/mol
Exact Mass464.22
IUPAC Name[3-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(9-methylcarbazol-3-yl)methanone
SMILESCOc1cccc(-c2cn[nH]c2C2CCCN(C(=O)c3ccc4c(c3)c3ccccc3n4C)C2)c1
InChIInChI=1S/C29H28N4O2/c1-32-26-11-4-3-10-23(26)24-16-20(12-13-27(24)32)29(34)33-14-6-8-21(18-33)28-25(17-30-31-28)19-7-5-9-22(15-19)35-2/h3-5,7,9-13,15-17,21H,6,8,14,18H2,1-2H3,(H,30,31)
InChIKeyXUBLPSFBMROICB-UHFFFAOYSA-N
XLogP5.75
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methoxypyrimidin-5-yl)-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95226344
[4-(aminomethyl)phenyl]-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone;hydrochloride
CID 154895013
(1-ethylpyrazol-4-yl)-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 70737159
[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 70785248
(3-fluoro-4-pyridinyl)-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 56748447
(3-methoxyphenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 740543
[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 56748606
2-(azepan-1-yl)-1-[2-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanone
CID 110268780
[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 56738996
[(3R)-3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 42213954
2-[[(3R)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methoxyphenol
CID 42482527
4-[[(2R)-2-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methyl]quinoline
CID 95840267

Frequently Asked Questions

What is the IUPAC name of [3-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(9-methylcarbazol-3-yl)methanone?
The IUPAC name of [3-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(9-methylcarbazol-3-yl)methanone (CID 45179608) is [3-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(9-methylcarbazol-3-yl)methanone.
What is the SMILES notation for [3-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(9-methylcarbazol-3-yl)methanone?
The canonical SMILES for [3-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(9-methylcarbazol-3-yl)methanone is COc1cccc(-c2cn[nH]c2C2CCCN(C(=O)c3ccc4c(c3)c3ccccc3n4C)C2)c1.
What is the InChIKey of [3-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(9-methylcarbazol-3-yl)methanone?
The InChIKey is XUBLPSFBMROICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O2/c1-32-26-11-4-3-10-23(26)24-16-20(12-13-27(24)32)29(34)33-14-6-8-21(18-33)28-25(17-30-31-28)19-7-5-9-22(15-19)35-2/h3-5,7,9-13,15-17,21H,6,8,14,18H2,1-2H3,(H,30,31).
What are the key properties of [3-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(9-methylcarbazol-3-yl)methanone?
[3-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(9-methylcarbazol-3-yl)methanone has a molecular weight of 464.57 g/mol, XLogP of 5.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(9-methylcarbazol-3-yl)methanone is sourced from PubChem (CID 45179608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).