N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide

C27H25N3O2 — CID 24610601

IUPACN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)C1COc2ccccc2C1
InChIInChI=1S/C27H25N3O2/c31-27(23-15-22-13-7-8-14-25(22)32-19-23)28-16-24-18-30(17-20-9-3-1-4-10-20)29-26(24)21-11-5-2-6-12-21/h1-14,18,23H,15-17,19H2,(H,28,31)
InChIKeyJMRYCTVJNPQPJM-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.47
Rot. Bonds6

About N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide

N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 24610601) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID24610601
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC NameN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)C1COc2ccccc2C1
InChIInChI=1S/C27H25N3O2/c31-27(23-15-22-13-7-8-14-25(22)32-19-23)28-16-24-18-30(17-20-9-3-1-4-10-20)29-26(24)21-11-5-2-6-12-21/h1-14,18,23H,15-17,19H2,(H,28,31)
InChIKeyJMRYCTVJNPQPJM-UHFFFAOYSA-N
XLogP4.47
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]cyclopropanecarboxamide
CID 17454174
(3R)-N-benzyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 9243365
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-benzotriazole-5-carboxamide
CID 85453509
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 24610629
(2S,4S)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619392
N-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 115577899
N-[(1-benzylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 72872678
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]piperidine-2-carboxamide
CID 119276225
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 119276229
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]morpholine-2-carboxamide
CID 119698864
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 26117218
(3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97279541

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 24610601) is N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide is O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)C1COc2ccccc2C1.
What is the InChIKey of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is JMRYCTVJNPQPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2/c31-27(23-15-22-13-7-8-14-25(22)32-19-23)28-16-24-18-30(17-20-9-3-1-4-10-20)29-26(24)21-11-5-2-6-12-21/h1-14,18,23H,15-17,19H2,(H,28,31).
What are the key properties of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 24610601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).