N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide

C21H21N3O2 — CID 70736931

IUPACN-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCN(Cc1ccc(-n2cccn2)cc1)C(=O)C1CCc2ccccc2O1
InChIInChI=1S/C21H21N3O2/c1-23(15-16-7-10-18(11-8-16)24-14-4-13-22-24)21(25)20-12-9-17-5-2-3-6-19(17)26-20/h2-8,10-11,13-14,20H,9,12,15H2,1H3
InChIKeyNWWITZCACYCDFZ-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.22
Rot. Bonds4

About N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide

N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 70736931) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID70736931
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCN(Cc1ccc(-n2cccn2)cc1)C(=O)C1CCc2ccccc2O1
InChIInChI=1S/C21H21N3O2/c1-23(15-16-7-10-18(11-8-16)24-14-4-13-22-24)21(25)20-12-9-17-5-2-3-6-19(17)26-20/h2-8,10-11,13-14,20H,9,12,15H2,1H3
InChIKeyNWWITZCACYCDFZ-UHFFFAOYSA-N
XLogP3.22
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide
CID 86284156
(2S)-N-methyl-N-(pyrazin-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 99959485
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 47020638
N-hydroxy-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide
CID 19815598
2-(cyclopropylmethylsulfanyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
CID 70786327
3-[cyclopropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid
CID 60840230
(2S)-2-amino-3-hydroxy-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;hydrochloride
CID 154894262
1-[(2S)-3,4-dihydro-2H-chromen-2-yl]propan-1-one
CID 158725223
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a]pyridine-7-carboxamide
CID 70711180
(9R)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
CID 125165463
N-methyl-3-pyrazol-1-yl-N-[(4-pyrazol-1-ylphenyl)methyl]butanamide
CID 70746658
N-cyclopropyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 56525607

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide (CID 70736931) is N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide is CN(Cc1ccc(-n2cccn2)cc1)C(=O)C1CCc2ccccc2O1.
What is the InChIKey of N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is NWWITZCACYCDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-23(15-16-7-10-18(11-8-16)24-14-4-13-22-24)21(25)20-12-9-17-5-2-3-6-19(17)26-20/h2-8,10-11,13-14,20H,9,12,15H2,1H3.
What are the key properties of N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide?
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 70736931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).