N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide

C21H23N3O2 — CID 94232204

IUPACN-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
SMILESCC1=NN(c2ccc(C(=O)NC[C@H]3COc4ccccc4C3)cc2)CC1
InChIInChI=1S/C21H23N3O2/c1-15-10-11-24(23-15)19-8-6-17(7-9-19)21(25)22-13-16-12-18-4-2-3-5-20(18)26-14-16/h2-9,16H,10-14H2,1H3,(H,22,25)/t16-/m0/s1
InChIKeyYULICLMVEKQOQP-INIZCTEOSA-N
MW349.43 g/mol
LogP3.25
Rot. Bonds4

About N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide

N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide (PubChem CID 94232204) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
PubChem CID94232204
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
SMILESCC1=NN(c2ccc(C(=O)NC[C@H]3COc4ccccc4C3)cc2)CC1
InChIInChI=1S/C21H23N3O2/c1-15-10-11-24(23-15)19-8-6-17(7-9-19)21(25)22-13-16-12-18-4-2-3-5-20(18)26-14-16/h2-9,16H,10-14H2,1H3,(H,22,25)/t16-/m0/s1
InChIKeyYULICLMVEKQOQP-INIZCTEOSA-N
XLogP3.25
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-morpholin-4-ylbenzamide
CID 72860096
N-(cyclobutylmethyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 47234524
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzamide
CID 55394774
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(trifluoromethyl)benzamide
CID 40918040
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 35422359
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-methylbenzamide
CID 51211932
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-pyridin-2-ylsulfanylbenzamide
CID 51129710
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-(tetrazol-1-ylmethyl)benzamide
CID 72933785
4-(difluoromethylsulfonyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzamide
CID 51212101
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methylfuran-2-carboxamide
CID 51241210
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-2-carboxamide
CID 99779688
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-methoxy-3-morpholin-4-ylbenzamide
CID 97277367

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide?
The IUPAC name of N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide (CID 94232204) is N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide.
What is the SMILES notation for N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide?
The canonical SMILES for N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide is CC1=NN(c2ccc(C(=O)NC[C@H]3COc4ccccc4C3)cc2)CC1.
What is the InChIKey of N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide?
The InChIKey is YULICLMVEKQOQP-INIZCTEOSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15-10-11-24(23-15)19-8-6-17(7-9-19)21(25)22-13-16-12-18-4-2-3-5-20(18)26-14-16/h2-9,16H,10-14H2,1H3,(H,22,25)/t16-/m0/s1.
What are the key properties of N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide?
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide has a molecular weight of 349.43 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide is sourced from PubChem (CID 94232204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).