N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C19H23N3O2 — CID 30014395

IUPACN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)N[C@H](C)c1cc2ccccc2o1
InChIInChI=1S/C19H23N3O2/c1-12-16(14(3)22(4)21-12)9-10-19(23)20-13(2)18-11-15-7-5-6-8-17(15)24-18/h5-8,11,13H,9-10H2,1-4H3,(H,20,23)/t13-/m1/s1
InChIKeyKUHBKVAHSIGNMK-CYBMUJFWSA-N
MW325.41 g/mol
LogP3.59
Rot. Bonds5

About N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 30014395) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID30014395
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)N[C@H](C)c1cc2ccccc2o1
InChIInChI=1S/C19H23N3O2/c1-12-16(14(3)22(4)21-12)9-10-19(23)20-13(2)18-11-15-7-5-6-8-17(15)24-18/h5-8,11,13H,9-10H2,1-4H3,(H,20,23)/t13-/m1/s1
InChIKeyKUHBKVAHSIGNMK-CYBMUJFWSA-N
XLogP3.59
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 51725008
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 46550846
N-[1-(1-benzofuran-2-yl)ethyl]pentanamide
CID 78811344
N-[1-(1-benzofuran-2-yl)ethyl]-3-(furan-2-yl)propanamide
CID 51206809
N-[1-(1-benzofuran-2-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60854523
N-[1-(1-benzofuran-2-yl)ethyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 18138575
[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate
CID 8632666
N-(3-methylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 47141857
(E)-3-(1-benzofuran-2-yl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]prop-2-enamide
CID 78861524
N-(2-amino-1-naphthalen-2-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride
CID 120567448
N-[(2S)-butan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 94532619
7-amino-N-[1-(1-benzofuran-2-yl)ethyl]heptanamide
CID 43708933

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 30014395) is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)N[C@H](C)c1cc2ccccc2o1.
What is the InChIKey of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is KUHBKVAHSIGNMK-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-12-16(14(3)22(4)21-12)9-10-19(23)20-13(2)18-11-15-7-5-6-8-17(15)24-18/h5-8,11,13H,9-10H2,1-4H3,(H,20,23)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 325.41 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 30014395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).