N-[6-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-yl]-5-methyl-1H-pyrazole-3-carboxamide

C22H23N3O2 — CID 172672021

IUPACN-[6-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-yl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCCc1ccc(-c2ccc3c(c2)C(NC(=O)c2cc(C)[nH]n2)CCO3)cc1
InChIInChI=1S/C22H23N3O2/c1-3-15-4-6-16(7-5-15)17-8-9-21-18(13-17)19(10-11-27-21)23-22(26)20-12-14(2)24-25-20/h4-9,12-13,19H,3,10-11H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyXFFAIDYXIOYKHM-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.20
Rot. Bonds4

About N-[6-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-yl]-5-methyl-1H-pyrazole-3-carboxamide

N-[6-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-yl]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 172672021) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[6-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-yl]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-yl]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID172672021
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-[6-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-yl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCCc1ccc(-c2ccc3c(c2)C(NC(=O)c2cc(C)[nH]n2)CCO3)cc1
InChIInChI=1S/C22H23N3O2/c1-3-15-4-6-16(7-5-15)17-8-9-21-18(13-17)19(10-11-27-21)23-22(26)20-12-14(2)24-25-20/h4-9,12-13,19H,3,10-11H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyXFFAIDYXIOYKHM-UHFFFAOYSA-N
XLogP4.20
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 94526998
N-[6-(3-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 172671769
5-cyclopropyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrazole-3-carboxamide
CID 94179713
N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)benzamide
CID 126784613
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 30602468
N-[(5R)-7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-2H-triazole-4-carboxamide
CID 94197661
N-[6-(2,4-dimethylphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-1,3-oxazole-4-carboxamide
CID 172670199
N-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 155945827
N-[1-(4-ethylphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 71951735
N-[6-(2-amino-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 52983828
N-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide
CID 18193148
N-[(3S)-7-fluoro-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-[(4-methylphenyl)methyl]-1H-pyrazole-3-carboxamide
CID 118557312

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-yl]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[6-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-yl]-5-methyl-1H-pyrazole-3-carboxamide (CID 172672021) is N-[6-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-yl]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[6-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-yl]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[6-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-yl]-5-methyl-1H-pyrazole-3-carboxamide is CCc1ccc(-c2ccc3c(c2)C(NC(=O)c2cc(C)[nH]n2)CCO3)cc1.
What is the InChIKey of N-[6-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-yl]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is XFFAIDYXIOYKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-3-15-4-6-16(7-5-15)17-8-9-21-18(13-17)19(10-11-27-21)23-22(26)20-12-14(2)24-25-20/h4-9,12-13,19H,3,10-11H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-[6-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-yl]-5-methyl-1H-pyrazole-3-carboxamide?
N-[6-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-yl]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-yl]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 172672021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).