N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-1-phenylpyrazole-4-carboxamide

C25H28N4O — CID 42344868

IUPACN-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-1-phenylpyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(-c2ccccc2)c1)[C@@H]1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C25H28N4O/c1-27(25(30)21-16-26-29(17-21)22-10-3-2-4-11-22)23-12-7-13-28(18-23)24-14-19-8-5-6-9-20(19)15-24/h2-6,8-11,16-17,23-24H,7,12-15,18H2,1H3/t23-/m1/s1
InChIKeyOETAEOSXABOKHQ-HSZRJFAPSA-N
MW400.53 g/mol
LogP3.58
Rot. Bonds4

About N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-1-phenylpyrazole-4-carboxamide

N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 42344868) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID42344868
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC NameN-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-1-phenylpyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(-c2ccccc2)c1)[C@@H]1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C25H28N4O/c1-27(25(30)21-16-26-29(17-21)22-10-3-2-4-11-22)23-12-7-13-28(18-23)24-14-19-8-5-6-9-20(19)15-24/h2-6,8-11,16-17,23-24H,7,12-15,18H2,1H3/t23-/m1/s1
InChIKeyOETAEOSXABOKHQ-HSZRJFAPSA-N
XLogP3.58
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-1-phenylpyrazole-4-carboxamide with MolForge

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Related Compounds

N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-4-ethenyl-N-methylbenzamide
CID 42214630
N-methyl-1-phenyl-N-piperidin-4-ylpyrazole-4-carboxamide
CID 43602271
N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-4-oxo-4-phenylbutanamide
CID 26326531
1-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-1-methyl-3-phenylurea
CID 95724999
N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 25310154
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-1,3-benzothiazole-5-carboxamide
CID 56853456
(E)-N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 25385169
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-1-phenylpyrazole-4-carboxamide
CID 38832303
N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide
CID 42594380
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-2-methylsulfanyl-1,3-thiazole-4-carboxamide
CID 45212790
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-2-pyridin-2-ylsulfanylacetamide
CID 45197169
N'-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N'-methyl-N-propan-2-yloxamide
CID 95715305

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-1-phenylpyrazole-4-carboxamide (CID 42344868) is N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-1-phenylpyrazole-4-carboxamide is CN(C(=O)c1cnn(-c2ccccc2)c1)[C@@H]1CCCN(C2Cc3ccccc3C2)C1.
What is the InChIKey of N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is OETAEOSXABOKHQ-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H28N4O/c1-27(25(30)21-16-26-29(17-21)22-10-3-2-4-11-22)23-12-7-13-28(18-23)24-14-19-8-5-6-9-20(19)15-24/h2-6,8-11,16-17,23-24H,7,12-15,18H2,1H3/t23-/m1/s1.
What are the key properties of N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-1-phenylpyrazole-4-carboxamide?
N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 400.53 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 42344868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).