N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide

C22H23N3O3 — CID 51592407

IUPACN-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(-c2[nH]ncc2C(=O)N[C@@H](C)c2ccc3c(c2)CCCO3)cc1
InChIInChI=1S/C22H23N3O3/c1-14(16-7-10-20-17(12-16)4-3-11-28-20)24-22(26)19-13-23-25-21(19)15-5-8-18(27-2)9-6-15/h5-10,12-14H,3-4,11H2,1-2H3,(H,23,25)(H,24,26)/t14-/m0/s1
InChIKeyXEFHOPVEJCCHJQ-AWEZNQCLSA-N
MW377.44 g/mol
LogP3.90
Rot. Bonds5

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

N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide (PubChem CID 51592407) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
PubChem CID51592407
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(-c2[nH]ncc2C(=O)N[C@@H](C)c2ccc3c(c2)CCCO3)cc1
InChIInChI=1S/C22H23N3O3/c1-14(16-7-10-20-17(12-16)4-3-11-28-20)24-22(26)19-13-23-25-21(19)15-5-8-18(27-2)9-6-15/h5-10,12-14H,3-4,11H2,1-2H3,(H,23,25)(H,24,26)/t14-/m0/s1
InChIKeyXEFHOPVEJCCHJQ-AWEZNQCLSA-N
XLogP3.90
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 155946145
N-[1-(4-methoxyphenyl)ethyl]-5-(4-nitrophenyl)-1H-pyrazole-4-carboxamide
CID 71824160
N-[(1S)-1-(4-methoxyphenyl)ethyl]-5-(4-nitrophenyl)-1H-pyrazole-4-carboxamide
CID 95795239
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 112808676
N-[(1R)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-3-(2,4-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide
CID 51596231
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 95795144
5-(3-bromophenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 95795174
5-(4-chlorophenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 94049155
5-(4-methoxyphenyl)-N-[(2S)-1-methylsulfanylpropan-2-yl]-1H-pyrazole-4-carboxamide
CID 96565233
3-acetamido-N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-5-methoxy-1H-indole-2-carboxamide
CID 51592403
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-1-(furan-2-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 94566157
5-(3,4-dimethoxyphenyl)-N-[1-(4-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 71824303

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide (CID 51592407) is N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide is COc1ccc(-c2[nH]ncc2C(=O)N[C@@H](C)c2ccc3c(c2)CCCO3)cc1.
What is the InChIKey of N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is XEFHOPVEJCCHJQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-14(16-7-10-20-17(12-16)4-3-11-28-20)24-22(26)19-13-23-25-21(19)15-5-8-18(27-2)9-6-15/h5-10,12-14H,3-4,11H2,1-2H3,(H,23,25)(H,24,26)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide?
N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 51592407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).