N-(2-cyclobutylpyrazol-3-yl)-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide

C18H21N3O2 — CID 136567760

IUPACN-(2-cyclobutylpyrazol-3-yl)-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCc1ccc2c(c1)CCC(C(=O)Nc1ccnn1C1CCC1)O2
InChIInChI=1S/C18H21N3O2/c1-12-5-7-15-13(11-12)6-8-16(23-15)18(22)20-17-9-10-19-21(17)14-3-2-4-14/h5,7,9-11,14,16H,2-4,6,8H2,1H3,(H,20,22)
InChIKeyNYVGPEUXAGCIIZ-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.25
Rot. Bonds3

About N-(2-cyclobutylpyrazol-3-yl)-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide

N-(2-cyclobutylpyrazol-3-yl)-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 136567760) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(2-cyclobutylpyrazol-3-yl)-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyclobutylpyrazol-3-yl)-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID136567760
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN-(2-cyclobutylpyrazol-3-yl)-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCc1ccc2c(c1)CCC(C(=O)Nc1ccnn1C1CCC1)O2
InChIInChI=1S/C18H21N3O2/c1-12-5-7-15-13(11-12)6-8-16(23-15)18(22)20-17-9-10-19-21(17)14-3-2-4-14/h5,7,9-11,14,16H,2-4,6,8H2,1H3,(H,20,22)
InChIKeyNYVGPEUXAGCIIZ-UHFFFAOYSA-N
XLogP3.25
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-6-methyl-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 94865790
N-(4-carbamoylphenyl)-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide
CID 139007058
N-(3,5-dimethoxyphenyl)-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide
CID 44515635
N-(2-cyclohexylpyrazol-3-yl)-3-methylbenzamide
CID 51145870
ethane;1-(6-methyl-3,4-dihydro-2H-chromen-2-yl)propan-1-one
CID 143613083
(6-methyl-3,4-dihydro-2H-chromen-2-yl)-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]methanone
CID 136538921
ethyl N-(2-cyclopentylpyrazol-3-yl)carbamate
CID 110470599
2-chloro-N-(2-cyclobutylpyrazol-3-yl)acetamide
CID 166407634
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2,4-dimethylbenzoate
CID 8645930
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 8534684
6-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 126803972
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 16512091

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutylpyrazol-3-yl)-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of N-(2-cyclobutylpyrazol-3-yl)-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide (CID 136567760) is N-(2-cyclobutylpyrazol-3-yl)-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for N-(2-cyclobutylpyrazol-3-yl)-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for N-(2-cyclobutylpyrazol-3-yl)-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide is Cc1ccc2c(c1)CCC(C(=O)Nc1ccnn1C1CCC1)O2.
What is the InChIKey of N-(2-cyclobutylpyrazol-3-yl)-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is NYVGPEUXAGCIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12-5-7-15-13(11-12)6-8-16(23-15)18(22)20-17-9-10-19-21(17)14-3-2-4-14/h5,7,9-11,14,16H,2-4,6,8H2,1H3,(H,20,22).
What are the key properties of N-(2-cyclobutylpyrazol-3-yl)-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide?
N-(2-cyclobutylpyrazol-3-yl)-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutylpyrazol-3-yl)-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 136567760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).