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

C24H27N3O4 — CID 51596231

IUPACN-[(1R)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-3-(2,4-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2n[nH]c(C(=O)N[C@H](C)c3ccc4c(c3)CCCO4)c2C)c(OC)c1
InChIInChI=1S/C24H27N3O4/c1-14-22(19-9-8-18(29-3)13-21(19)30-4)26-27-23(14)24(28)25-15(2)16-7-10-20-17(12-16)6-5-11-31-20/h7-10,12-13,15H,5-6,11H2,1-4H3,(H,25,28)(H,26,27)/t15-/m1/s1
InChIKeyLNTYZYVAKCIKOI-OAHLLOKOSA-N
MW421.50 g/mol
LogP4.22
Rot. Bonds6

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

N-[(1R)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-3-(2,4-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide (PubChem CID 51596231) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[(1R)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-3-(2,4-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-3-(2,4-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide
PubChem CID51596231
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC NameN-[(1R)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-3-(2,4-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2n[nH]c(C(=O)N[C@H](C)c3ccc4c(c3)CCCO4)c2C)c(OC)c1
InChIInChI=1S/C24H27N3O4/c1-14-22(19-9-8-18(29-3)13-21(19)30-4)26-27-23(14)24(28)25-15(2)16-7-10-20-17(12-16)6-5-11-31-20/h7-10,12-13,15H,5-6,11H2,1-4H3,(H,25,28)(H,26,27)/t15-/m1/s1
InChIKeyLNTYZYVAKCIKOI-OAHLLOKOSA-N
XLogP4.22
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2,5-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide
CID 92614861
3-acetamido-N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-5-methoxy-1H-indole-2-carboxamide
CID 51592403
N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 51592407
N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-4-ethylthiadiazole-5-carboxamide
CID 51594327
6-[chloro-(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene
CID 61085686
methyl 2-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutanoate
CID 116964483
2,3-dihydro-1-benzofuran-5-yl-(2,4-dimethoxyphenyl)methanol
CID 61099921
N-[1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-(4-methyltriazol-1-yl)acetamide
CID 46971557
N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-(4-methyltriazol-1-yl)acetamide
CID 51587150
(E)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 22605662
N-(3,4-dihydro-2H-chromen-6-yl)-4-methoxybenzamide
CID 110726170
N-[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 97020935

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-3-(2,4-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(1R)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-3-(2,4-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide (CID 51596231) is N-[(1R)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-3-(2,4-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-3-(2,4-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(1R)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-3-(2,4-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide is COc1ccc(-c2n[nH]c(C(=O)N[C@H](C)c3ccc4c(c3)CCCO4)c2C)c(OC)c1.
What is the InChIKey of N-[(1R)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-3-(2,4-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is LNTYZYVAKCIKOI-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-14-22(19-9-8-18(29-3)13-21(19)30-4)26-27-23(14)24(28)25-15(2)16-7-10-20-17(12-16)6-5-11-31-20/h7-10,12-13,15H,5-6,11H2,1-4H3,(H,25,28)(H,26,27)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-3-(2,4-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide?
N-[(1R)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-3-(2,4-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-3-(2,4-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 51596231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).